N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide

C18H19ClFNO2 — CID 100713672

IUPACN-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1C(C)C
InChIInChI=1S/C18H19ClFNO2/c1-10(2)13-9-14(11(3)7-17(13)23-4)18(22)21-12-5-6-16(20)15(19)8-12/h5-10H,1-4H3,(H,21,22)
InChIKeyAGXXYGSOKNAXBS-UHFFFAOYSA-N
MW335.81 g/mol
LogP5.17
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide

N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide (PubChem CID 100713672) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
PubChem CID100713672
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1C(C)C
InChIInChI=1S/C18H19ClFNO2/c1-10(2)13-9-14(11(3)7-17(13)23-4)18(22)21-12-5-6-16(20)15(19)8-12/h5-10H,1-4H3,(H,21,22)
InChIKeyAGXXYGSOKNAXBS-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.81
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100714297
N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100712843
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715402
5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
CID 61073474
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
CID 100716626
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 22422502
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide (CID 100713672) is N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1C(C)C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The InChIKey is AGXXYGSOKNAXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-10(2)13-9-14(11(3)7-17(13)23-4)18(22)21-12-5-6-16(20)15(19)8-12/h5-10H,1-4H3,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide has a molecular weight of 335.81 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 100713672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).