3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide

C10H11ClN2O2 — CID 169482171

IUPAC3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(N)=O)c(Cl)cc1N
InChIInChI=1S/C10H11ClN2O2/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h2-5H,12H2,1H3,(H2,13,14)
InChIKeyGXZGEEXAWPBJSK-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.43
Rot. Bonds3

About 3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide

3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide (PubChem CID 169482171) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide
PubChem CID169482171
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(N)=O)c(Cl)cc1N
InChIInChI=1S/C10H11ClN2O2/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h2-5H,12H2,1H3,(H2,13,14)
InChIKeyGXZGEEXAWPBJSK-UHFFFAOYSA-N
XLogP1.43
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.43
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

methyl 2-amino-5-(3-amino-3-oxoprop-1-enyl)-4-chlorobenzoate
CID 169482798
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enal
CID 169459460
ethyl 4-(4-amino-2-chloro-5-methoxyphenyl)but-3-enoate
CID 170796588
S-[3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457664
(Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877805
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide
CID 169481644
3-(4-amino-2-fluoro-5-methoxyphenyl)prop-2-enoic acid
CID 169460734
methyl (E)-3-(5-amino-2,4-dimethoxyphenyl)prop-2-enoate
CID 166001564
3-(4-cyano-2-methoxyphenyl)prop-2-enamide
CID 169482899
3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 169482902
tert-butyl 3-(2,5-dichloro-4-methoxyphenyl)prop-2-enoate
CID 123152558

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide (CID 169482171) is 3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide is COc1cc(C=CC(N)=O)c(Cl)cc1N.
What is the InChIKey of 3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide?
The InChIKey is GXZGEEXAWPBJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h2-5H,12H2,1H3,(H2,13,14).
What are the key properties of 3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide?
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide has a molecular weight of 226.66 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 169482171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).