2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide

C24H19Cl2N3O3 — CID 14820748

IUPAC2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
SMILESCc1cc(C#N)ccc1Oc1c(C)cc(NC(=O)NC(=O)c2ccccc2Cl)c(C)c1Cl
InChIInChI=1S/C24H19Cl2N3O3/c1-13-10-16(12-27)8-9-20(13)32-22-14(2)11-19(15(3)21(22)26)28-24(31)29-23(30)17-6-4-5-7-18(17)25/h4-11H,1-3H3,(H2,28,29,30,31)
InChIKeyZHOQNDNLGCLGKN-UHFFFAOYSA-N
MW468.34 g/mol
LogP6.54
Rot. Bonds4

About 2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide

2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide (PubChem CID 14820748) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
PubChem CID14820748
Molecular FormulaC24H19Cl2N3O3
Molecular Weight468.34 g/mol
Exact Mass467.08
IUPAC Name2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
SMILESCc1cc(C#N)ccc1Oc1c(C)cc(NC(=O)NC(=O)c2ccccc2Cl)c(C)c1Cl
InChIInChI=1S/C24H19Cl2N3O3/c1-13-10-16(12-27)8-9-20(13)32-22-14(2)11-19(15(3)21(22)26)28-24(31)29-23(30)17-6-4-5-7-18(17)25/h4-11H,1-3H3,(H2,28,29,30,31)
InChIKeyZHOQNDNLGCLGKN-UHFFFAOYSA-N
XLogP6.54
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
CID 14626055
2-chloro-N-[[3-chloro-4-[(5-cyano-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19072639
N-[[3-chloro-4-(4-cyano-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-fluorobenzamide
CID 19072641
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073071
N-[[4-[(4-amino-2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-3-chloro-2,5-dimethylphenyl]carbamoyl]-2-chlorobenzamide
CID 19935020
N-[[3-chloro-4-(4-chloro-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-methoxybenzamide
CID 19072789
N-[[3-chloro-2,5-dimethyl-4-(2-methylphenoxy)phenyl]carbamothioyl]-2-methylbenzamide
CID 19072963
N-[[3-chloro-4-(2-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626084
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626040
2-(2-chloro-4-cyanophenoxy)-3-methylbenzoic acid
CID 63092622
4-(2-chlorophenoxy)-3-methylbenzonitrile
CID 54934374
N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626021

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide (CID 14820748) is 2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide is Cc1cc(C#N)ccc1Oc1c(C)cc(NC(=O)NC(=O)c2ccccc2Cl)c(C)c1Cl.
What is the InChIKey of 2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide?
The InChIKey is ZHOQNDNLGCLGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c1-13-10-16(12-27)8-9-20(13)32-22-14(2)11-19(15(3)21(22)26)28-24(31)29-23(30)17-6-4-5-7-18(17)25/h4-11H,1-3H3,(H2,28,29,30,31).
What are the key properties of 2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide?
2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide has a molecular weight of 468.34 g/mol, XLogP of 6.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-chloro-4-(4-cyano-2-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide is sourced from PubChem (CID 14820748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).