N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide

C27H22N2O3 — CID 26522657

IUPACN-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H22N2O3/c1-32-25-10-6-5-9-24(25)29-27(31)22-15-17-23(18-16-22)28-26(30)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-18H,1H3,(H,28,30)(H,29,31)
InChIKeyRPVTWDPDXWQHFV-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.87
Rot. Bonds6

About N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide

N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide (PubChem CID 26522657) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
PubChem CID26522657
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC NameN-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H22N2O3/c1-32-25-10-6-5-9-24(25)29-27(31)22-15-17-23(18-16-22)28-26(30)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-18H,1H3,(H,28,30)(H,29,31)
InChIKeyRPVTWDPDXWQHFV-UHFFFAOYSA-N
XLogP5.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
2-ethoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522658
5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9083677
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9083669
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethylbenzamide
CID 9245041
2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 142804897

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide (CID 26522657) is N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide?
The InChIKey is RPVTWDPDXWQHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-32-25-10-6-5-9-24(25)29-27(31)22-15-17-23(18-16-22)28-26(30)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-18H,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide?
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide has a molecular weight of 422.48 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 26522657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).