N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide

C17H18ClNO2 — CID 2107284

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(C)c1C
InChIInChI=1S/C17H18ClNO2/c1-10-6-5-7-13(12(10)3)17(20)19-15-8-11(2)14(18)9-16(15)21-4/h5-9H,1-4H3,(H,19,20)
InChIKeyAIGFGPABMRNWQR-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.53
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide (PubChem CID 2107284) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
PubChem CID2107284
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cccc(C)c1C
InChIInChI=1S/C17H18ClNO2/c1-10-6-5-7-13(12(10)3)17(20)19-15-8-11(2)14(18)9-16(15)21-4/h5-9H,1-4H3,(H,19,20)
InChIKeyAIGFGPABMRNWQR-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
CID 103891512
N-(5-acetamido-2-methoxyphenyl)-2,3-dimethylbenzamide
CID 8873770
1-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141972
CID 90477654
CID 90477654
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
CID 108991794
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 63658199
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1H-benzimidazole-4-carboxamide
CID 110701135
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide (CID 2107284) is N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1cccc(C)c1C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide?
The InChIKey is AIGFGPABMRNWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-10-6-5-7-13(12(10)3)17(20)19-15-8-11(2)14(18)9-16(15)21-4/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide is sourced from PubChem (CID 2107284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).