(E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide

C16H15ClN2O2 — CID 107621799

IUPAC(E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(N)cc2)ccc1Cl
InChIInChI=1S/C16H15ClN2O2/c1-21-15-10-13(7-8-14(15)17)19-16(20)9-4-11-2-5-12(18)6-3-11/h2-10H,18H2,1H3,(H,19,20)/b9-4+
InChIKeyCBPWKIWMBNDBEN-RUDMXATFSA-N
MW302.76 g/mol
LogP3.58
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide (PubChem CID 107621799) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide
PubChem CID107621799
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(N)cc2)ccc1Cl
InChIInChI=1S/C16H15ClN2O2/c1-21-15-10-13(7-8-14(15)17)19-16(20)9-4-11-2-5-12(18)6-3-11/h2-10H,18H2,1H3,(H,19,20)/b9-4+
InChIKeyCBPWKIWMBNDBEN-RUDMXATFSA-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-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1121350
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-3-(3-chloro-4-methylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26695081
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 28867808
(E)-3-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26364650
(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464
N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide
CID 74572950
(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 51057389
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
(E)-3-(4-aminophenyl)-N-(3-bromo-4-methylphenyl)prop-2-enamide
CID 84553975
N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 883171

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide (CID 107621799) is (E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide is COc1cc(NC(=O)/C=C/c2ccc(N)cc2)ccc1Cl.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide?
The InChIKey is CBPWKIWMBNDBEN-RUDMXATFSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-21-15-10-13(7-8-14(15)17)19-16(20)9-4-11-2-5-12(18)6-3-11/h2-10H,18H2,1H3,(H,19,20)/b9-4+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(4-chloro-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)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 107621799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).