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

C9H9ClFNO — CID 532266

IUPAC2-chloro-N-(4-fluorophenyl)propanamide
SMILESCC(Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H9ClFNO/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,13)
InChIKeyWIDIGWZTSCBRNS-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.39
Rot. Bonds2

About 2-chloro-N-(4-fluorophenyl)propanamide

2-chloro-N-(4-fluorophenyl)propanamide (PubChem CID 532266) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)propanamide
PubChem CID532266
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-chloro-N-(4-fluorophenyl)propanamide
SMILESCC(Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H9ClFNO/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,13)
InChIKeyWIDIGWZTSCBRNS-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide
CID 4736856
N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
CID 18877630
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide
CID 2468229
2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 54867179
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)propanamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)propanamide (CID 532266) is 2-chloro-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)propanamide is CC(Cl)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)propanamide?
The InChIKey is WIDIGWZTSCBRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,13).
What are the key properties of 2-chloro-N-(4-fluorophenyl)propanamide?
2-chloro-N-(4-fluorophenyl)propanamide has a molecular weight of 201.63 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 532266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).