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

C16H15ClN2O — CID 28867808

IUPAC(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C16H15ClN2O/c1-11-2-4-12(5-3-11)6-9-16(20)19-13-7-8-14(17)15(18)10-13/h2-10H,18H2,1H3,(H,19,20)/b9-6+
InChIKeyWTQIYUGBSIEJBD-RMKNXTFCSA-N
MW286.76 g/mol
LogP3.88
Rot. Bonds3

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

(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 28867808) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID28867808
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C16H15ClN2O/c1-11-2-4-12(5-3-11)6-9-16(20)19-13-7-8-14(17)15(18)10-13/h2-10H,18H2,1H3,(H,19,20)/b9-6+
InChIKeyWTQIYUGBSIEJBD-RMKNXTFCSA-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-fluorophenyl)prop-2-enamide
CID 28867683
(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 39387862
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707
(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867666
(E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide
CID 107621799
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
(E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 54777118
(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867709

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide (CID 28867808) is (E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(N)c2)cc1.
What is the InChIKey of (E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is WTQIYUGBSIEJBD-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-2-4-12(5-3-11)6-9-16(20)19-13-7-8-14(17)15(18)10-13/h2-10H,18H2,1H3,(H,19,20)/b9-6+.
What are the key properties of (E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(3-amino-4-chlorophenyl)-3-(4-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)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 28867808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).