(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide

C19H20ClNO — CID 807795

IUPAC(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide
SMILESCC[C@H](C)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H20ClNO/c1-3-14(2)21-19(22)17(15-9-5-4-6-10-15)13-16-11-7-8-12-18(16)20/h4-14H,3H2,1-2H3,(H,21,22)/b17-13+/t14-/m0/s1
InChIKeyRAKXDZUSELAGSK-DLRWLJPMSA-N
MW313.83 g/mol
LogP4.80
Rot. Bonds5

About (E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide

(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide (PubChem CID 807795) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide
PubChem CID807795
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide
SMILESCC[C@H](C)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H20ClNO/c1-3-14(2)21-19(22)17(15-9-5-4-6-10-15)13-16-11-7-8-12-18(16)20/h4-14H,3H2,1-2H3,(H,21,22)/b17-13+/t14-/m0/s1
InChIKeyRAKXDZUSELAGSK-DLRWLJPMSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-2-phenylprop-2-enamide
CID 100561841
(E)-3-(2-chlorophenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylprop-2-enamide
CID 38015442
(E)-3-(2-chlorophenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]-2-phenylprop-2-enamide
CID 38020071
(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
CID 126140872
(E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 133191082
2-[(2-chlorophenyl)methylidene]butanoic acid
CID 54425924
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide
CID 4191533
(Z)-3-(2-chlorophenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 749144
3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
CID 2915971
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide
CID 38000686

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide (CID 807795) is (E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide is CC[C@H](C)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide?
The InChIKey is RAKXDZUSELAGSK-DLRWLJPMSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-3-14(2)21-19(22)17(15-9-5-4-6-10-15)13-16-11-7-8-12-18(16)20/h4-14H,3H2,1-2H3,(H,21,22)/b17-13+/t14-/m0/s1.
What are the key properties of (E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide?
(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide has a molecular weight of 313.83 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 807795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).