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

C9H9ClFNO — CID 155026296

IUPAC2-(2-chloro-4-fluorophenyl)propanamide
SMILESCC(C(N)=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H9ClFNO/c1-5(9(12)13)7-3-2-6(11)4-8(7)10/h2-5H,1H3,(H2,12,13)
InChIKeyFDRWNBBIHLHBDC-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.07
Rot. Bonds2

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

2-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 155026296) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)propanamide
PubChem CID155026296
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-(2-chloro-4-fluorophenyl)propanamide
SMILESCC(C(N)=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H9ClFNO/c1-5(9(12)13)7-3-2-6(11)4-8(7)10/h2-5H,1H3,(H2,12,13)
InChIKeyFDRWNBBIHLHBDC-UHFFFAOYSA-N
XLogP2.07
TPSA43.09 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)propanamide
CID 141213802
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
methyl 2-[1-(2-chloro-4-fluorophenyl)ethylamino]propanoate
CID 60781995
(2S)-2-amino-2-(2-chloro-4-fluorophenyl)acetic acid
CID 66510702
2-[1-(2-chloro-4-fluorophenyl)ethylamino]oxyacetamide
CID 112673275
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470
methyl (2S)-2-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-methylbutanoate
CID 43776132
[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 2570251
methyl (3R)-3-amino-3-(2-chloro-4-fluorophenyl)propanoate
CID 103694392
1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
CID 62945198
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide
CID 119330269
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)propanamide (CID 155026296) is 2-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)propanamide is CC(C(N)=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is FDRWNBBIHLHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-5(9(12)13)7-3-2-6(11)4-8(7)10/h2-5H,1H3,(H2,12,13).
What are the key properties of 2-(2-chloro-4-fluorophenyl)propanamide?
2-(2-chloro-4-fluorophenyl)propanamide has a molecular weight of 201.63 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 155026296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).