(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide

C21H17ClN2O — CID 6028032

IUPAC(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H17ClN2O/c22-17-6-4-5-16(15-17)9-14-21(25)24-20-12-10-19(11-13-20)23-18-7-2-1-3-8-18/h1-15,23H,(H,24,25)/b14-9+
InChIKeyMTCAMCBPGODBJK-NTEUORMPSA-N
MW348.83 g/mol
LogP5.74
Rot. Bonds5

About (E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide

(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide (PubChem CID 6028032) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is (E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
PubChem CID6028032
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H17ClN2O/c22-17-6-4-5-16(15-17)9-14-21(25)24-20-12-10-19(11-13-20)23-18-7-2-1-3-8-18/h1-15,23H,(H,24,25)/b14-9+
InChIKeyMTCAMCBPGODBJK-NTEUORMPSA-N
XLogP5.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.74
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

3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6266202
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
(E)-3-(3-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7941296
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide (CID 6028032) is (E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of (E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide?
The InChIKey is MTCAMCBPGODBJK-NTEUORMPSA-N. The full InChI is InChI=1S/C21H17ClN2O/c22-17-6-4-5-16(15-17)9-14-21(25)24-20-12-10-19(11-13-20)23-18-7-2-1-3-8-18/h1-15,23H,(H,24,25)/b14-9+.
What are the key properties of (E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide?
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide has a molecular weight of 348.83 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 6028032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).