methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate

C16H14ClNO3 — CID 142567433

IUPACmethyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2C)cc1Cl
InChIInChI=1S/C16H14ClNO3/c1-10-5-3-4-6-12(10)15(19)18-11-7-8-13(14(17)9-11)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyYFKGYKZDNVKWFG-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.69
Rot. Bonds3

About methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate

methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate (PubChem CID 142567433) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
PubChem CID142567433
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Namemethyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2C)cc1Cl
InChIInChI=1S/C16H14ClNO3/c1-10-5-3-4-6-12(10)15(19)18-11-7-8-13(14(17)9-11)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyYFKGYKZDNVKWFG-UHFFFAOYSA-N
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-methylbenzamide
CID 886248
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738
3,5-dichloro-2-methoxy-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 22778984
methyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 28638140
methyl 2-chloro-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 118454929
methyl 2-chloro-4-hydrazinylbenzoate
CID 21414029
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
methyl 4-[[(2S)-2-aminopropanoyl]amino]-2-chlorobenzoate
CID 119329500

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate?
The IUPAC name of methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate (CID 142567433) is methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccccc2C)cc1Cl.
What is the InChIKey of methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate?
The InChIKey is YFKGYKZDNVKWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-5-3-4-6-12(10)15(19)18-11-7-8-13(14(17)9-11)16(20)21-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate?
methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate has a molecular weight of 303.75 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 142567433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).