3-(4-chlorophenyl)-N-methylprop-2-enamide

C10H10ClNO — CID 4142427

IUPAC3-(4-chlorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)
InChIKeyPCLNEFDBVAWWHY-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.10
Rot. Bonds2

About 3-(4-chlorophenyl)-N-methylprop-2-enamide

3-(4-chlorophenyl)-N-methylprop-2-enamide (PubChem CID 4142427) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methylprop-2-enamide
PubChem CID4142427
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name3-(4-chlorophenyl)-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13)
InChIKeyPCLNEFDBVAWWHY-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-iodophenyl)-N-methylprop-2-enamide
CID 147337787
(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide
CID 47232697
(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide
CID 39239019
(E)-3-(4-chlorophenyl)-N-[2-(methylamino)-2-oxoethoxy]prop-2-enamide
CID 110495665
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
(E)-3-(4-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide
CID 806243
5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid
CID 71336819
(E)-N-methyl-3-[4-(methylaminomethyl)phenyl]prop-2-enamide
CID 164990335
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 19176841
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
(E)-N-methyl-3-[4-(2-oxopropyl)phenyl]prop-2-enamide
CID 70527941
N-methyl-3-[4-(2-oxopropyl)phenyl]prop-2-enamide
CID 70527944

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methylprop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methylprop-2-enamide (CID 4142427) is 3-(4-chlorophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methylprop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methylprop-2-enamide is CNC(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methylprop-2-enamide?
The InChIKey is PCLNEFDBVAWWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3,(H,12,13).
What are the key properties of 3-(4-chlorophenyl)-N-methylprop-2-enamide?
3-(4-chlorophenyl)-N-methylprop-2-enamide has a molecular weight of 195.65 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 4142427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).