N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide

C12H12F3NO — CID 103603514

IUPACN-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(C(F)F)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H12F3NO/c13-9-3-1-8(2-4-9)7-16(10-5-6-10)12(17)11(14)15/h1-4,10-11H,5-7H2
InChIKeyXOWHGLUTASKYBQ-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.58
Rot. Bonds4

About N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide

N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 103603514) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID103603514
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC NameN-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(C(F)F)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H12F3NO/c13-9-3-1-8(2-4-9)7-16(10-5-6-10)12(17)11(14)15/h1-4,10-11H,5-7H2
InChIKeyXOWHGLUTASKYBQ-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604
2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 65230166
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
5-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 54874686
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145
4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 81076206
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 60666540
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide (CID 103603514) is N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide is O=C(C(F)F)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is XOWHGLUTASKYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-9-3-1-8(2-4-9)7-16(10-5-6-10)12(17)11(14)15/h1-4,10-11H,5-7H2.
What are the key properties of N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide?
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 243.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 103603514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).