(Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide

C21H17ClN2O — CID 909593

IUPAC(Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)/C(Cl)=C/c1ccccc1
InChIInChI=1S/C21H17ClN2O/c22-20(15-16-7-3-1-4-8-16)21(25)24-19-13-11-18(12-14-19)23-17-9-5-2-6-10-17/h1-15,23H,(H,24,25)/b20-15-
InChIKeyCUJRAAJHDGQEDB-HKWRFOASSA-N
MW348.83 g/mol
LogP5.65
Rot. Bonds5

About (Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide

(Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide (PubChem CID 909593) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is (Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide
PubChem CID909593
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name(Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)/C(Cl)=C/c1ccccc1
InChIInChI=1S/C21H17ClN2O/c22-20(15-16-7-3-1-4-8-16)21(25)24-19-13-11-18(12-14-19)23-17-9-5-2-6-10-17/h1-15,23H,(H,24,25)/b20-15-
InChIKeyCUJRAAJHDGQEDB-HKWRFOASSA-N
XLogP5.65
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 ≤ 55.65
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

methyl 4-[[(Z)-2-chloro-3-phenylprop-2-enoyl]amino]benzoate
CID 884962
2-chloro-N-(3,4-dimethylphenyl)-3-phenylprop-2-enamide
CID 686992
(Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide
CID 19648563
N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108525447
2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide
CID 5207908
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
(E)-2-benzoyl-N,3-diphenylprop-2-enamide
CID 9448914
3-(4-anilinophenyl)-2-methylprop-2-enoic acid
CID 54444662
(E)-2-chloro-3-phenylprop-2-enamide
CID 909679
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
2-chloro-N-(ethylsulfonylmethyl)-3-phenylprop-2-enamide
CID 88653482
1-N,4-N-bis[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665285

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide (CID 909593) is (Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide is O=C(Nc1ccc(Nc2ccccc2)cc1)/C(Cl)=C/c1ccccc1.
What is the InChIKey of (Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide?
The InChIKey is CUJRAAJHDGQEDB-HKWRFOASSA-N. The full InChI is InChI=1S/C21H17ClN2O/c22-20(15-16-7-3-1-4-8-16)21(25)24-19-13-11-18(12-14-19)23-17-9-5-2-6-10-17/h1-15,23H,(H,24,25)/b20-15-.
What are the key properties of (Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide?
(Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide has a molecular weight of 348.83 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide is sourced from PubChem (CID 909593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).