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

C11H11ClFNO — CID 169464994

IUPACN-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO/c1-8(15)14-6-2-3-9-7-10(12)4-5-11(9)13/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyQEYPBDFVFISWPY-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.63
Rot. Bonds3

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

N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide (PubChem CID 169464994) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
PubChem CID169464994
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC NameN-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO/c1-8(15)14-6-2-3-9-7-10(12)4-5-11(9)13/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyQEYPBDFVFISWPY-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
CID 169465750
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
N-[3-(3-fluoro-2-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465029
N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
CID 169465270
4-(3-acetamidoprop-1-enyl)-2,5-difluorobenzoic acid
CID 169466002
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018
N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465950
N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465064
3-(3-acetamidoprop-1-enyl)-2-amino-5-chlorobenzoic acid
CID 169466086
N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464897
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465955

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide (CID 169464994) is N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc(Cl)ccc1F.
What is the InChIKey of N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide?
The InChIKey is QEYPBDFVFISWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c1-8(15)14-6-2-3-9-7-10(12)4-5-11(9)13/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide?
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide has a molecular weight of 227.67 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169464994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).