N-(3-chloro-4-fluorophenyl)propanamide

C9H9ClFNO — CID 699697

IUPACN-(3-chloro-4-fluorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-2-9(13)12-6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyGFJKYZZAILHFPK-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.83
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)propanamide

N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 699697) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)propanamide
PubChem CID699697
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC NameN-(3-chloro-4-fluorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO/c1-2-9(13)12-6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyGFJKYZZAILHFPK-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)propanamide (CID 699697) is N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)propanamide is CCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is GFJKYZZAILHFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-2-9(13)12-6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-(3-chloro-4-fluorophenyl)propanamide?
N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 201.63 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 699697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).