(E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide

C17H17ClN2O — CID 723732

IUPAC(E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCN(C)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-20(2)15-10-8-14(9-11-15)19-17(21)12-7-13-5-3-4-6-16(13)18/h3-12H,1-2H3,(H,19,21)/b12-7+
InChIKeyUKOTXFBQQFYGOI-KPKJPENVSA-N
MW300.79 g/mol
LogP4.06
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide (PubChem CID 723732) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide
PubChem CID723732
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCN(C)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-20(2)15-10-8-14(9-11-15)19-17(21)12-7-13-5-3-4-6-16(13)18/h3-12H,1-2H3,(H,19,21)/b12-7+
InChIKeyUKOTXFBQQFYGOI-KPKJPENVSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(2E)-N-(3-chlorophenyl)-3-phenylprop-2-enamide
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2-Propenamide, N-(4-chlorophenyl)-3-phenyl-
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2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
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N-(3-chloro-2-methylphenyl)acetamide
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(1E,4E)-1-(2-chlorophenyl)-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one
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CID 237729
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 894235

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide (CID 723732) is (E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide is CN(C)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide?
The InChIKey is UKOTXFBQQFYGOI-KPKJPENVSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-20(2)15-10-8-14(9-11-15)19-17(21)12-7-13-5-3-4-6-16(13)18/h3-12H,1-2H3,(H,19,21)/b12-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide has a molecular weight of 300.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 723732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).