N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide

C12H13ClFNO — CID 115636730

IUPACN-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide
SMILESC=C(Cl)CNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C12H13ClFNO/c1-9(13)8-15-12(16)7-4-10-2-5-11(14)6-3-10/h2-3,5-6H,1,4,7-8H2,(H,15,16)
InChIKeyPRYWWCFNWGEJEV-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.63
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide

N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide (PubChem CID 115636730) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide
PubChem CID115636730
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC NameN-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide
SMILESC=C(Cl)CNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C12H13ClFNO/c1-9(13)8-15-12(16)7-4-10-2-5-11(14)6-3-10/h2-3,5-6H,1,4,7-8H2,(H,15,16)
InChIKeyPRYWWCFNWGEJEV-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
(2S)-4-[3-(4-fluorophenyl)propanoylamino]-2-hydroxybutanoic acid
CID 114006677
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
(3-methylphenyl) 2-[3-(4-fluorophenyl)propanoylamino]acetate
CID 110670442
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide (CID 115636730) is N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide is C=C(Cl)CNC(=O)CCc1ccc(F)cc1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide?
The InChIKey is PRYWWCFNWGEJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-9(13)8-15-12(16)7-4-10-2-5-11(14)6-3-10/h2-3,5-6H,1,4,7-8H2,(H,15,16).
What are the key properties of N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide?
N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide has a molecular weight of 241.69 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 115636730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).