(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide

C15H13ClN2O — CID 39371944

IUPAC(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c16-13-6-1-2-7-14(13)18-15(19)9-8-11-4-3-5-12(17)10-11/h1-10H,17H2,(H,18,19)/b9-8+
InChIKeyRNVSWCQQJOIIHR-CMDGGOBGSA-N
MW272.74 g/mol
LogP3.57
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide (PubChem CID 39371944) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide
PubChem CID39371944
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c16-13-6-1-2-7-14(13)18-15(19)9-8-11-4-3-5-12(17)10-11/h1-10H,17H2,(H,18,19)/b9-8+
InChIKeyRNVSWCQQJOIIHR-CMDGGOBGSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide
CID 39403849
N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 874967
(E)-3-(3-aminophenyl)-N-(3-bromo-2-methylphenyl)prop-2-enamide
CID 107625190
(E)-3-(3-aminophenyl)-N-(4-bromo-3-chlorophenyl)prop-2-enamide
CID 107620216
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-N-(3-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 9414069
(E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide
CID 106954289
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 82153857
(E)-3-(3-aminophenyl)-N-(2-bromo-4-fluorophenyl)prop-2-enamide
CID 115342735
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-iodophenyl)prop-2-enamide
CID 115344597
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
(E)-3-(3-bromophenyl)-N-(3-chloro-2-methylphenyl)prop-2-enamide
CID 2671445

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide (CID 39371944) is (E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide is Nc1cccc(/C=C/C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide?
The InChIKey is RNVSWCQQJOIIHR-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-13-6-1-2-7-14(13)18-15(19)9-8-11-4-3-5-12(17)10-11/h1-10H,17H2,(H,18,19)/b9-8+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide has a molecular weight of 272.74 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 39371944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).