N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide

C11H12ClF2NO — CID 114299394

IUPACN-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide
SMILESCC(CCl)NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C11H12ClF2NO/c1-7(6-12)15-11(16)4-8-2-3-9(13)5-10(8)14/h2-3,5,7H,4,6H2,1H3,(H,15,16)
InChIKeyUNWLLEAOEQYXEH-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.25
Rot. Bonds4

About N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide

N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide (PubChem CID 114299394) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide
PubChem CID114299394
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC NameN-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide
SMILESCC(CCl)NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C11H12ClF2NO/c1-7(6-12)15-11(16)4-8-2-3-9(13)5-10(8)14/h2-3,5,7H,4,6H2,1H3,(H,15,16)
InChIKeyUNWLLEAOEQYXEH-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.25
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-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide
CID 114300048
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
(2R)-2-[[2-(2,4-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107823047
N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 120507911
2-[[2-(2,4-difluorophenyl)acetyl]amino]-4-sulfanylbutanoic acid
CID 114212527
2-(2,4-difluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944983
2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856634
N-[2-(1-chloroethyl)phenyl]-2-(2,4-difluorophenyl)acetamide
CID 114304752
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
3-[(2,4-difluorophenyl)methylcarbamoylamino]butanoic acid
CID 62228725
2-[[2-(2,4-difluorophenyl)acetyl]amino]-3-sulfopropanoic acid
CID 142765802

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide?
The IUPAC name of N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide (CID 114299394) is N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide is CC(CCl)NC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide?
The InChIKey is UNWLLEAOEQYXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-7(6-12)15-11(16)4-8-2-3-9(13)5-10(8)14/h2-3,5,7H,4,6H2,1H3,(H,15,16).
What are the key properties of N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide?
N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide has a molecular weight of 247.67 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 114299394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).