4-[2-(4-phenylanilino)propanoylamino]benzamide

C22H21N3O2 — CID 78667343

IUPAC4-[2-(4-phenylanilino)propanoylamino]benzamide
SMILESCC(Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C22H21N3O2/c1-15(22(27)25-20-13-9-18(10-14-20)21(23)26)24-19-11-7-17(8-12-19)16-5-3-2-4-6-16/h2-15,24H,1H3,(H2,23,26)(H,25,27)
InChIKeyOMUDTNCFORHEOD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.89
Rot. Bonds6

About 4-[2-(4-phenylanilino)propanoylamino]benzamide

4-[2-(4-phenylanilino)propanoylamino]benzamide (PubChem CID 78667343) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[2-(4-phenylanilino)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-(4-phenylanilino)propanoylamino]benzamide
PubChem CID78667343
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-[2-(4-phenylanilino)propanoylamino]benzamide
SMILESCC(Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C22H21N3O2/c1-15(22(27)25-20-13-9-18(10-14-20)21(23)26)24-19-11-7-17(8-12-19)16-5-3-2-4-6-16/h2-15,24H,1H3,(H2,23,26)(H,25,27)
InChIKeyOMUDTNCFORHEOD-UHFFFAOYSA-N
XLogP3.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
2-(4-phenylanilino)propanamide
CID 60671359
4-[2-(3-acetylanilino)propanoylamino]benzamide
CID 46667199
4-[[(2R)-2-(benzhydrylamino)propanoyl]amino]benzamide
CID 7971112
4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide
CID 41190635
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
4-[2-[4-(2,2,2-trifluoroethoxy)anilino]propanoylamino]benzamide
CID 42887485
4-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]benzamide
CID 43112981

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylanilino)propanoylamino]benzamide?
The IUPAC name of 4-[2-(4-phenylanilino)propanoylamino]benzamide (CID 78667343) is 4-[2-(4-phenylanilino)propanoylamino]benzamide.
What is the SMILES notation for 4-[2-(4-phenylanilino)propanoylamino]benzamide?
The canonical SMILES for 4-[2-(4-phenylanilino)propanoylamino]benzamide is CC(Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(4-phenylanilino)propanoylamino]benzamide?
The InChIKey is OMUDTNCFORHEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15(22(27)25-20-13-9-18(10-14-20)21(23)26)24-19-11-7-17(8-12-19)16-5-3-2-4-6-16/h2-15,24H,1H3,(H2,23,26)(H,25,27).
What are the key properties of 4-[2-(4-phenylanilino)propanoylamino]benzamide?
4-[2-(4-phenylanilino)propanoylamino]benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylanilino)propanoylamino]benzamide is sourced from PubChem (CID 78667343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).