3-(2-chloro-3-fluorophenyl)-N-methylpropanamide

C10H11ClFNO — CID 71030233

IUPAC3-(2-chloro-3-fluorophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(F)c1Cl
InChIInChI=1S/C10H11ClFNO/c1-13-9(14)6-5-7-3-2-4-8(12)10(7)11/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyIQRXDTGGXNBITO-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.16
Rot. Bonds3

About 3-(2-chloro-3-fluorophenyl)-N-methylpropanamide

3-(2-chloro-3-fluorophenyl)-N-methylpropanamide (PubChem CID 71030233) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-N-methylpropanamide
PubChem CID71030233
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name3-(2-chloro-3-fluorophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(F)c1Cl
InChIInChI=1S/C10H11ClFNO/c1-13-9(14)6-5-7-3-2-4-8(12)10(7)11/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyIQRXDTGGXNBITO-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 112652607
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
2-chloro-1-(2-chloroethyl)-3-fluorobenzene
CID 126973948
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one
CID 112653367
(2S)-2-[3-(2,3-difluorophenyl)propanoylamino]propanoic acid
CID 119238181
3-(2-fluoro-5-formamidophenyl)-N-methylpropanamide
CID 143980499
1-(2-chloro-3-fluorophenyl)-4-(4-methylphenyl)butan-2-one
CID 105127131
3-[(2-chloro-3-fluorophenyl)methylamino]propanoic acid
CID 112652700
4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylbutanamide
CID 112613187

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-N-methylpropanamide?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-N-methylpropanamide (CID 71030233) is 3-(2-chloro-3-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-N-methylpropanamide is CNC(=O)CCc1cccc(F)c1Cl.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-N-methylpropanamide?
The InChIKey is IQRXDTGGXNBITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-13-9(14)6-5-7-3-2-4-8(12)10(7)11/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of 3-(2-chloro-3-fluorophenyl)-N-methylpropanamide?
3-(2-chloro-3-fluorophenyl)-N-methylpropanamide has a molecular weight of 215.66 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 71030233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).