N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide

C94H81Cl5F2N10O12S6 — CID 157180606

IUPACN-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide
SMILESCCc1cc(OC)ccc1C(=O)Nc1ccc(-c2csc(C)n2)c(Cl)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(F)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(OC)c1.Cc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2Cl)cs1
InChIInChI=1S/C20H19ClN2O2S.C19H17ClN2O3S.C19H17ClN2O2S.C18H14ClFN2O3S2.C18H14ClFN2O2S/c1-4-13-9-15(25-3)6-8-16(13)20(24)23-14-5-7-17(18(21)10-14)19-11-26-12(2)22-19;1-11-21-17(10-26-11)14-6-4-12(8-16(14)20)22-19(23)15-7-5-13(24-2)9-18(15)25-3;1-11-8-14(24-3)5-7-15(11)19(23)22-13-4-6-16(17(20)9-13)18-10-25-12(2)21-18;1-10-21-17(9-26-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(8-16(14)20)27(2,24)25;1-10-21-17(9-25-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(24-2)8-16(14)20/h5-11H,4H2,1-3H3,(H,23,24);4-10H,1-3H3,(H,22,23);4-10H,1-3H3,(H,22,23);3-9H,1-2H3,(H,22,23);3-9H,1-2H3,(H,22,23)
InChIKeyAONIUFUVYJRTPZ-UHFFFAOYSA-N
MW1950.40 g/mol
LogP25.72
Rot. Bonds22

About N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide

N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide (PubChem CID 157180606) has the molecular formula C94H81Cl5F2N10O12S6 and a molecular weight of 1950.40 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide
PubChem CID157180606
Molecular FormulaC94H81Cl5F2N10O12S6
Molecular Weight1950.40 g/mol
Exact Mass1946.28
IUPAC NameN-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide
SMILESCCc1cc(OC)ccc1C(=O)Nc1ccc(-c2csc(C)n2)c(Cl)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(F)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(OC)c1.Cc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2Cl)cs1
InChIInChI=1S/C20H19ClN2O2S.C19H17ClN2O3S.C19H17ClN2O2S.C18H14ClFN2O3S2.C18H14ClFN2O2S/c1-4-13-9-15(25-3)6-8-16(13)20(24)23-14-5-7-17(18(21)10-14)19-11-26-12(2)22-19;1-11-21-17(10-26-11)14-6-4-12(8-16(14)20)22-19(23)15-7-5-13(24-2)9-18(15)25-3;1-11-8-14(24-3)5-7-15(11)19(23)22-13-4-6-16(17(20)9-13)18-10-25-12(2)21-18;1-10-21-17(9-26-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(8-16(14)20)27(2,24)25;1-10-21-17(9-25-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(24-2)8-16(14)20/h5-11H,4H2,1-3H3,(H,23,24);4-10H,1-3H3,(H,22,23);4-10H,1-3H3,(H,22,23);3-9H,1-2H3,(H,22,23);3-9H,1-2H3,(H,22,23)
InChIKeyAONIUFUVYJRTPZ-UHFFFAOYSA-N
XLogP25.72
TPSA290.24 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001950.40
LogP ≤ 525.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide (CID 157180606) is N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide is CCc1cc(OC)ccc1C(=O)Nc1ccc(-c2csc(C)n2)c(Cl)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(C)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(F)c1.COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)c(Cl)c2)c(OC)c1.Cc1nc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3F)cc2Cl)cs1.
What is the InChIKey of N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide?
The InChIKey is AONIUFUVYJRTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S.C19H17ClN2O3S.C19H17ClN2O2S.C18H14ClFN2O3S2.C18H14ClFN2O2S/c1-4-13-9-15(25-3)6-8-16(13)20(24)23-14-5-7-17(18(21)10-14)19-11-26-12(2)22-19;1-11-21-17(10-26-11)14-6-4-12(8-16(14)20)22-19(23)15-7-5-13(24-2)9-18(15)25-3;1-11-8-14(24-3)5-7-15(11)19(23)22-13-4-6-16(17(20)9-13)18-10-25-12(2)21-18;1-10-21-17(9-26-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(8-16(14)20)27(2,24)25;1-10-21-17(9-25-10)13-5-3-11(7-15(13)19)22-18(23)14-6-4-12(24-2)8-16(14)20/h5-11H,4H2,1-3H3,(H,23,24);4-10H,1-3H3,(H,22,23);4-10H,1-3H3,(H,22,23);3-9H,1-2H3,(H,22,23);3-9H,1-2H3,(H,22,23).
What are the key properties of N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide?
N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide has a molecular weight of 1950.40 g/mol, XLogP of 25.72, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-ethyl-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[3-chloro-4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 157180606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).