N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide

C12H14ClNO — CID 169464965

IUPACN-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(C)cc(Cl)c1
InChIInChI=1S/C12H14ClNO/c1-9-6-11(8-12(13)7-9)4-3-5-14-10(2)15/h3-4,6-8H,5H2,1-2H3,(H,14,15)
InChIKeyCMVYUEMDPYLSGQ-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.80
Rot. Bonds3

About N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide

N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide (PubChem CID 169464965) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide
PubChem CID169464965
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC NameN-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(C)cc(Cl)c1
InChIInChI=1S/C12H14ClNO/c1-9-6-11(8-12(13)7-9)4-3-5-14-10(2)15/h3-4,6-8H,5H2,1-2H3,(H,14,15)
InChIKeyCMVYUEMDPYLSGQ-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

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Related Compounds

N-[3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465954
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
N-[3-(5-methylthiophen-3-yl)prop-2-enyl]acetamide
CID 169464817
N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
CID 169465270
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
3-(3-acetamidoprop-1-enyl)-2-amino-5-chlorobenzoic acid
CID 169466086
N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide
CID 169465500
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018
tert-butyl N-[3-(3-chloro-5-formylphenyl)prop-2-enyl]carbamate
CID 169467394
N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464897

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide (CID 169464965) is N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc(C)cc(Cl)c1.
What is the InChIKey of N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide?
The InChIKey is CMVYUEMDPYLSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-9-6-11(8-12(13)7-9)4-3-5-14-10(2)15/h3-4,6-8H,5H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide?
N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide 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 N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169464965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).