N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide

C23H22N2O2 — CID 1332956

IUPACN-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2O2/c1-16(2)22(26)24-20-9-6-10-21(15-20)25-23(27)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,24,26)(H,25,27)
InChIKeyUOCBJLNWWZKELE-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.20
Rot. Bonds5

About N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide

N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide (PubChem CID 1332956) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
PubChem CID1332956
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2O2/c1-16(2)22(26)24-20-9-6-10-21(15-20)25-23(27)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,24,26)(H,25,27)
InChIKeyUOCBJLNWWZKELE-UHFFFAOYSA-N
XLogP5.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 17189296
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide
CID 46996402
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 969062
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide
CID 5018775
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-phenylethynyl)benzamide
CID 39723048

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide (CID 1332956) is N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide is CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide?
The InChIKey is UOCBJLNWWZKELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16(2)22(26)24-20-9-6-10-21(15-20)25-23(27)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide?
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide has a molecular weight of 358.44 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 1332956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).