4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide

C23H21N3O2 — CID 55540187

IUPAC4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21N3O2/c1-2-16-24-23(28)26-21-14-12-20(13-15-21)25-22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-15H,1,16H2,(H,25,27)(H2,24,26,28)
InChIKeyZRWZOQDTQPWPHL-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.91
Rot. Bonds6

About 4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide

4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide (PubChem CID 55540187) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
PubChem CID55540187
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21N3O2/c1-2-16-24-23(28)26-21-14-12-20(13-15-21)25-22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-15H,1,16H2,(H,25,27)(H2,24,26,28)
InChIKeyZRWZOQDTQPWPHL-UHFFFAOYSA-N
XLogP4.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
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CID 3363408
4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide
CID 52667442
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide (CID 55540187) is 4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide is C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide?
The InChIKey is ZRWZOQDTQPWPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-16-24-23(28)26-21-14-12-20(13-15-21)25-22(27)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-15H,1,16H2,(H,25,27)(H2,24,26,28).
What are the key properties of 4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide?
4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 55540187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).