(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide

C19H20ClNO — CID 17256732

IUPAC(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H20ClNO/c1-2-3-15-21(17-10-5-4-6-11-17)19(22)14-13-16-9-7-8-12-18(16)20/h4-14H,2-3,15H2,1H3/b14-13+
InChIKeyRKVIEYBROOHGRT-BUHFOSPRSA-N
MW313.83 g/mol
LogP5.19
Rot. Bonds6

About (E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide

(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide (PubChem CID 17256732) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide
PubChem CID17256732
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H20ClNO/c1-2-3-15-21(17-10-5-4-6-11-17)19(22)14-13-16-9-7-8-12-18(16)20/h4-14H,2-3,15H2,1H3/b14-13+
InChIKeyRKVIEYBROOHGRT-BUHFOSPRSA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide (CID 17256732) is (E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide is CCCCN(C(=O)/C=C/c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
The InChIKey is RKVIEYBROOHGRT-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-2-3-15-21(17-10-5-4-6-11-17)19(22)14-13-16-9-7-8-12-18(16)20/h4-14H,2-3,15H2,1H3/b14-13+.
What are the key properties of (E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide?
(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide has a molecular weight of 313.83 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 17256732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).