N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide

C12H13ClFNO — CID 169465270

IUPACN-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(F)c(C)cc1Cl
InChIInChI=1S/C12H13ClFNO/c1-8-6-11(13)10(7-12(8)14)4-3-5-15-9(2)16/h3-4,6-7H,5H2,1-2H3,(H,15,16)
InChIKeyWSQUAWKXPWKZEH-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.94
Rot. Bonds3

About N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide

N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide (PubChem CID 169465270) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
PubChem CID169465270
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC NameN-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(F)c(C)cc1Cl
InChIInChI=1S/C12H13ClFNO/c1-8-6-11(13)10(7-12(8)14)4-3-5-15-9(2)16/h3-4,6-7H,5H2,1-2H3,(H,15,16)
InChIKeyWSQUAWKXPWKZEH-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
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
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]carbamate
CID 169469374
4-(3-acetamidoprop-1-enyl)-2,5-difluorobenzoic acid
CID 169466002
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
CID 169465750
3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide
CID 169481644
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-(3-chloro-5-methylphenyl)prop-2-enyl]acetamide
CID 169464965

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide (CID 169465270) is N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc(F)c(C)cc1Cl.
What is the InChIKey of N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide?
The InChIKey is WSQUAWKXPWKZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-8-6-11(13)10(7-12(8)14)4-3-5-15-9(2)16/h3-4,6-7H,5H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide?
N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide has a molecular weight of 241.69 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).