(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide

C16H15ClN2O — CID 39387862

IUPAC(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C16H15ClN2O/c1-11-3-2-4-13(9-11)19-16(20)8-6-12-5-7-14(17)15(18)10-12/h2-10H,18H2,1H3,(H,19,20)/b8-6+
InChIKeyOIZHHYUUKJKYCC-SOFGYWHQSA-N
MW286.76 g/mol
LogP3.88
Rot. Bonds3

About (E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide

(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide (PubChem CID 39387862) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
PubChem CID39387862
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C16H15ClN2O/c1-11-3-2-4-13(9-11)19-16(20)8-6-12-5-7-14(17)15(18)10-12/h2-10H,18H2,1H3,(H,19,20)/b8-6+
InChIKeyOIZHHYUUKJKYCC-SOFGYWHQSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.88
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)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 28867808
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 732081
(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 28867683
3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 54031031
(E)-3-(4-fluoro-3-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 163966610
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 67337824

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide (CID 39387862) is (E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide is Cc1cccc(NC(=O)/C=C/c2ccc(Cl)c(N)c2)c1.
What is the InChIKey of (E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is OIZHHYUUKJKYCC-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-3-2-4-13(9-11)19-16(20)8-6-12-5-7-14(17)15(18)10-12/h2-10H,18H2,1H3,(H,19,20)/b8-6+.
What are the key properties of (E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide?
(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 286.76 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 39387862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).