(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate

C22H18ClNO4 — CID 1305098

IUPAC(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C22H18ClNO4/c1-27-20-10-8-16(9-11-20)21(25)24-19-7-3-5-17(13-19)22(26)28-14-15-4-2-6-18(23)12-15/h2-13H,14H2,1H3,(H,24,25)
InChIKeyOLHTYVYJVKRQCT-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.96
Rot. Bonds6

About (3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate

(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate (PubChem CID 1305098) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate
PubChem CID1305098
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C22H18ClNO4/c1-27-20-10-8-16(9-11-20)21(25)24-19-7-3-5-17(13-19)22(26)28-14-15-4-2-6-18(23)12-15/h2-13H,14H2,1H3,(H,24,25)
InChIKeyOLHTYVYJVKRQCT-UHFFFAOYSA-N
XLogP4.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 2224729
[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate
CID 1217731
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917
(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320679
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 162640903
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
CID 65127479
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate
CID 29405129

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate?
The IUPAC name of (3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate (CID 1305098) is (3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for (3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for (3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate is COc1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of (3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate?
The InChIKey is OLHTYVYJVKRQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c1-27-20-10-8-16(9-11-20)21(25)24-19-7-3-5-17(13-19)22(26)28-14-15-4-2-6-18(23)12-15/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of (3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate?
(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate has a molecular weight of 395.84 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 1305098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).