(E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide

C18H18ClNO — CID 776964

IUPAC(E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO/c1-13(2)14-7-10-16(11-8-14)20-18(21)12-9-15-5-3-4-6-17(15)19/h3-13H,1-2H3,(H,20,21)/b12-9+
InChIKeyFBGYWUCFGDTKJU-FMIVXFBMSA-N
MW299.80 g/mol
LogP5.12
Rot. Bonds4

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

(E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 776964) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID776964
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name(E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO/c1-13(2)14-7-10-16(11-8-14)20-18(21)12-9-15-5-3-4-6-17(15)19/h3-13H,1-2H3,(H,20,21)/b12-9+
InChIKeyFBGYWUCFGDTKJU-FMIVXFBMSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.80
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11942
N-Acetyl-4-aminobiphenyl
CID 19998
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Pentanochlor
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(2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide
CID 54727980
N1-phenyl-3-(2-chlorophenyl)acrylamide
CID 737170
N-(3-chloro-2-methylphenyl)acetamide
CID 81969
(E)-3-(4-tert-Butyl-phenyl)-N-phenyl-acrylamide
CID 5885566
(2E)-N-(3-chlorophenyl)-3-phenylprop-2-enamide
CID 677915
N-(2-Chlorophenyl)cinnamamide
CID 765318
2-Propenamide, N-(4-chlorophenyl)-3-phenyl-
CID 766168
N-(4-methylphenyl)-3-phenylacrylamide
CID 787183

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide (CID 776964) is (E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is FBGYWUCFGDTKJU-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-13(2)14-7-10-16(11-8-14)20-18(21)12-9-15-5-3-4-6-17(15)19/h3-13H,1-2H3,(H,20,21)/b12-9+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 299.80 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 776964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).