methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate

C16H14ClNO3 — CID 956522

IUPACmethyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C16H14ClNO3/c1-10-13(16(20)21-2)4-3-5-14(10)18-15(19)11-6-8-12(17)9-7-11/h3-9H,1-2H3,(H,18,19)
InChIKeyCKBWDJBGJCYUMS-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.69
Rot. Bonds3

About methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate

methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate (PubChem CID 956522) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate
PubChem CID956522
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Namemethyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C16H14ClNO3/c1-10-13(16(20)21-2)4-3-5-14(10)18-15(19)11-6-8-12(17)9-7-11/h3-9H,1-2H3,(H,18,19)
InChIKeyCKBWDJBGJCYUMS-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

methyl 3-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbenzoate
CID 94002452
methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate
CID 17341399
methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 43924425
methyl 3-(2-chloropropanoylamino)-2-methylbenzoate
CID 43699222
methyl 2-methyl-3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2980681
methyl 3-(3-chloropropanoylamino)-2-methylbenzoate
CID 43699221
methyl 3-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]-2-methylbenzoate
CID 126273538
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate
CID 2208364

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate (CID 956522) is methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate is COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1C.
What is the InChIKey of methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate?
The InChIKey is CKBWDJBGJCYUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-13(16(20)21-2)4-3-5-14(10)18-15(19)11-6-8-12(17)9-7-11/h3-9H,1-2H3,(H,18,19).
What are the key properties of methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate?
methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate 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 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate is sourced from PubChem (CID 956522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).