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

C16H15ClN2O2 — CID 28867858

IUPAC(E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(Cl)cc2N)c1
InChIInChI=1S/C16H15ClN2O2/c1-21-13-4-2-3-11(9-13)5-8-16(20)19-15-7-6-12(17)10-14(15)18/h2-10H,18H2,1H3,(H,19,20)/b8-5+
InChIKeyZNJRUOLKEHCFST-VMPITWQZSA-N
MW302.76 g/mol
LogP3.58
Rot. Bonds4

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

(E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 28867858) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID28867858
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(Cl)cc2N)c1
InChIInChI=1S/C16H15ClN2O2/c1-21-13-4-2-3-11(9-13)5-8-16(20)19-15-7-6-12(17)10-14(15)18/h2-10H,18H2,1H3,(H,19,20)/b8-5+
InChIKeyZNJRUOLKEHCFST-VMPITWQZSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498
(E)-3-(3-chlorophenyl)-N-[4-[4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6167581
(E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26692900
N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 3548859
(E)-N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 39185656
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 16525508
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936
N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 4181979
1-(2,4-dichlorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905710
(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 7550935

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide (CID 28867858) is (E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccc(Cl)cc2N)c1.
What is the InChIKey of (E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is ZNJRUOLKEHCFST-VMPITWQZSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-21-13-4-2-3-11(9-13)5-8-16(20)19-15-7-6-12(17)10-14(15)18/h2-10H,18H2,1H3,(H,19,20)/b8-5+.
What are the key properties of (E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 302.76 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 28867858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).