2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide

C12H12ClF2NO — CID 166408961

IUPAC2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide
SMILESO=C(CCl)NC1(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C12H12ClF2NO/c13-7-11(17)16-12(3-4-12)6-8-1-2-9(14)5-10(8)15/h1-2,5H,3-4,6-7H2,(H,16,17)
InChIKeyQQFWDQZRSSMIKR-UHFFFAOYSA-N
MW259.68 g/mol
LogP2.39
Rot. Bonds4

About 2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide

2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide (PubChem CID 166408961) has the molecular formula C12H12ClF2NO and a molecular weight of 259.68 g/mol. Its IUPAC name is 2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide
PubChem CID166408961
Molecular FormulaC12H12ClF2NO
Molecular Weight259.68 g/mol
Exact Mass259.06
IUPAC Name2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide
SMILESO=C(CCl)NC1(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C12H12ClF2NO/c13-7-11(17)16-12(3-4-12)6-8-1-2-9(14)5-10(8)15/h1-2,5H,3-4,6-7H2,(H,16,17)
InChIKeyQQFWDQZRSSMIKR-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
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

methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate
CID 116929823
2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide
CID 82133784
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxyacetamide
CID 115140069
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
N-[(E)-4-chlorobut-2-enyl]-2-(2,4-difluorophenyl)acetamide
CID 81429076
2-(2-chloro-4-fluorophenyl)-N-[1-(diethylaminomethyl)cyclopropyl]acetamide
CID 122570747
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-(5-chloropyrazin-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 107595721
4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide
CID 58478304
N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114299394
2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide
CID 115271494
N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide
CID 119404549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide?
The IUPAC name of 2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide (CID 166408961) is 2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide is O=C(CCl)NC1(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide?
The InChIKey is QQFWDQZRSSMIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO/c13-7-11(17)16-12(3-4-12)6-8-1-2-9(14)5-10(8)15/h1-2,5H,3-4,6-7H2,(H,16,17).
What are the key properties of 2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide?
2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide has a molecular weight of 259.68 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(2,4-difluorophenyl)methyl]cyclopropyl]acetamide is sourced from PubChem (CID 166408961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).