benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate

C28H23NO4 — CID 126182220

IUPACbenzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23NO4/c1-32-25-18-14-22(15-19-25)27(30)29-24-16-12-23(13-17-24)28(31)33-26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-19,26H,1H3,(H,29,30)
InChIKeyFINPSUJVVKTGGD-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.89
Rot. Bonds7

About benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate

benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate (PubChem CID 126182220) has the molecular formula C28H23NO4 and a molecular weight of 437.50 g/mol. Its IUPAC name is benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namebenzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
PubChem CID126182220
Molecular FormulaC28H23NO4
Molecular Weight437.50 g/mol
Exact Mass437.16
IUPAC Namebenzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H23NO4/c1-32-25-18-14-22(15-19-25)27(30)29-24-16-12-23(13-17-24)28(31)33-26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-19,26H,1H3,(H,29,30)
InChIKeyFINPSUJVVKTGGD-UHFFFAOYSA-N
XLogP5.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
CID 46644627
benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 126183902
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
N-(4-methoxyphenyl)-4-[[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]benzamide
CID 17495973
4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 40736580
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)benzamide
CID 16651154
4-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507626
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996

Frequently Asked Questions

What is the IUPAC name of benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate?
The IUPAC name of benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate (CID 126182220) is benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate is COc1ccc(C(=O)Nc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate?
The InChIKey is FINPSUJVVKTGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO4/c1-32-25-18-14-22(15-19-25)27(30)29-24-16-12-23(13-17-24)28(31)33-26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-19,26H,1H3,(H,29,30).
What are the key properties of benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate?
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate has a molecular weight of 437.50 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 126182220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).