methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate

C22H19NO4 — CID 110424178

IUPACmethyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(-c3ccccc3)c2)c1
InChIInChI=1S/C22H19NO4/c1-26-20-12-11-16(14-19(20)15-7-4-3-5-8-15)21(24)23-18-10-6-9-17(13-18)22(25)27-2/h3-14H,1-2H3,(H,23,24)
InChIKeyDKOINCVYKGAFKD-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.40
Rot. Bonds5

About methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate

methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate (PubChem CID 110424178) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate
PubChem CID110424178
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namemethyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(-c3ccccc3)c2)c1
InChIInChI=1S/C22H19NO4/c1-26-20-12-11-16(14-19(20)15-7-4-3-5-8-15)21(24)23-18-10-6-9-17(13-18)22(25)27-2/h3-14H,1-2H3,(H,23,24)
InChIKeyDKOINCVYKGAFKD-UHFFFAOYSA-N
XLogP4.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methoxy-3-phenylbenzoate
CID 11010121
methyl 3-[[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
CID 4114720
2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid
CID 75429308
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
methyl 3-[2-[3-[(3-methoxycarbonylbenzoyl)amino]phenyl]ethynyl]benzoate
CID 55758820
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
N-(3-benzoylphenyl)-3-methoxy-4-methylbenzamide
CID 52843930
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
3-acetamido-N-(3-acetylphenyl)-4-methoxybenzamide
CID 110764313
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate (CID 110424178) is methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(OC)c(-c3ccccc3)c2)c1.
What is the InChIKey of methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate?
The InChIKey is DKOINCVYKGAFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-20-12-11-16(14-19(20)15-7-4-3-5-8-15)21(24)23-18-10-6-9-17(13-18)22(25)27-2/h3-14H,1-2H3,(H,23,24).
What are the key properties of methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate?
methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate has a molecular weight of 361.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate is sourced from PubChem (CID 110424178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).