4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide

C22H17ClN2O2 — CID 1228214

IUPAC4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide
SMILESO=C(C=Cc1ccccc1)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C22H17ClN2O2/c23-19-13-12-17(22(27)24-18-9-5-2-6-10-18)15-20(19)25-21(26)14-11-16-7-3-1-4-8-16/h1-15H,(H,24,27)(H,25,26)
InChIKeyLNMRUOOUMQJEOA-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.24
Rot. Bonds5

About 4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide

4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide (PubChem CID 1228214) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide
PubChem CID1228214
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide
SMILESO=C(C=Cc1ccccc1)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C22H17ClN2O2/c23-19-13-12-17(22(27)24-18-9-5-2-6-10-18)15-20(19)25-21(26)14-11-16-7-3-1-4-8-16/h1-15H,(H,24,27)(H,25,26)
InChIKeyLNMRUOOUMQJEOA-UHFFFAOYSA-N
XLogP5.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-chloro-3-(3-phenylprop-2-enoylamino)benzoate
CID 838209
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 874240
N-(3-chloro-4-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 26166587
4-chloro-3-[[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 23096235
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide
CID 2250223
3,4-bis[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 35209489
4-chloro-3-[3-[3-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 54192223
4-[[2-(3-phenylprop-2-enoylamino)benzoyl]amino]benzoic acid
CID 1230925
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide?
The IUPAC name of 4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide (CID 1228214) is 4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide.
What is the SMILES notation for 4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide?
The canonical SMILES for 4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide is O=C(C=Cc1ccccc1)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide?
The InChIKey is LNMRUOOUMQJEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-19-13-12-17(22(27)24-18-9-5-2-6-10-18)15-20(19)25-21(26)14-11-16-7-3-1-4-8-16/h1-15H,(H,24,27)(H,25,26).
What are the key properties of 4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide?
4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide has a molecular weight of 376.84 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide is sourced from PubChem (CID 1228214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).