3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide

C12H14ClNO — CID 73014365

IUPAC3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1ccc(C)c(Cl)c1
InChIInChI=1S/C12H14ClNO/c1-3-14-12(15)7-6-10-5-4-9(2)11(13)8-10/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyPTHFDXDKLHUMDW-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.80
Rot. Bonds3

About 3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide

3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide (PubChem CID 73014365) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide
PubChem CID73014365
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1ccc(C)c(Cl)c1
InChIInChI=1S/C12H14ClNO/c1-3-14-12(15)7-6-10-5-4-9(2)11(13)8-10/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyPTHFDXDKLHUMDW-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.80
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)-N-(2-amino-2-oxoethyl)-3-(3-chloro-4-methylphenyl)prop-2-enamide
CID 9296462
(E)-3-(3-chloro-4-methylphenyl)-N-(6-hydroxyhexyl)prop-2-enamide
CID 103919248
3-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]-2,2-dimethylpropanoic acid
CID 81369875
(Z)-N-[(2S)-butan-2-yl]-3-(3-chloro-4-methylphenyl)prop-2-enamide
CID 97304937
3-[3-(3-chloro-4-methylphenyl)prop-2-enoylamino]-2-hydroxy-2-methylpropanoic acid
CID 77114008
3-(3-chloro-4-methylphenyl)-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 77114123
(E)-3-(3-chloro-4-methylphenyl)-N-(2-hydroxy-3-methylbutyl)prop-2-enamide
CID 115746114
4-[3-(3-chloro-4-methylphenyl)prop-2-enoylamino]-3-hydroxy-3-methylbutanoic acid
CID 77111022
(2R)-2-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]pentanoic acid
CID 107562743
(E)-3-(3-chloro-4-methylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
CID 107847320
2-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]-3-hydroxypropanoic acid
CID 43357562
3-(3-chloro-4-methylphenyl)-N-[(1-hydroxycyclohexyl)methyl]prop-2-enamide
CID 77054081

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide (CID 73014365) is 3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide is CCNC(=O)C=Cc1ccc(C)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide?
The InChIKey is PTHFDXDKLHUMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-3-14-12(15)7-6-10-5-4-9(2)11(13)8-10/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide?
3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide has a molecular weight of 223.70 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 73014365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).