(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide

C16H15ClN2O — CID 84555657

IUPAC(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O/c17-14-6-1-13(2-7-14)11-19-16(20)10-5-12-3-8-15(18)9-4-12/h1-10H,11,18H2,(H,19,20)/b10-5+
InChIKeyGQTYNZCVWKRKFU-BJMVGYQFSA-N
MW286.76 g/mol
LogP3.25
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide (PubChem CID 84555657) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
PubChem CID84555657
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O/c17-14-6-1-13(2-7-14)11-19-16(20)10-5-12-3-8-15(18)9-4-12/h1-10H,11,18H2,(H,19,20)/b10-5+
InChIKeyGQTYNZCVWKRKFU-BJMVGYQFSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.25
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'}

Analyze (E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
(E)-N-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 63529144
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
(E)-N-[(4-chlorophenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 25296226
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
(E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 114181941
(E)-3-(4-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
CID 115344050
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]prop-2-enamide
CID 76990323
3-(4-chlorophenyl)-N-[[4-[methyl(pyridin-4-yl)amino]phenyl]methyl]prop-2-enamide
CID 154081844
(E)-N-[(4-chlorophenyl)methyl]-3-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enamide
CID 59122872
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide (CID 84555657) is (E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide is Nc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide?
The InChIKey is GQTYNZCVWKRKFU-BJMVGYQFSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-14-6-1-13(2-7-14)11-19-16(20)10-5-12-3-8-15(18)9-4-12/h1-10H,11,18H2,(H,19,20)/b10-5+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide has a molecular weight of 286.76 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 84555657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).