(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide

C14H12F2N2O — CID 125144380

IUPAC(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESN#Cc1cccc(C2(NC(=O)[C@@H]3CC3(F)F)CC2)c1
InChIInChI=1S/C14H12F2N2O/c15-14(16)7-11(14)12(19)18-13(4-5-13)10-3-1-2-9(6-10)8-17/h1-3,6,11H,4-5,7H2,(H,18,19)/t11-/m0/s1
InChIKeyBBHFJDXOHKIKLI-NSHDSACASA-N
MW262.26 g/mol
LogP2.32
Rot. Bonds3

About (1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide

(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 125144380) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is (1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID125144380
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESN#Cc1cccc(C2(NC(=O)[C@@H]3CC3(F)F)CC2)c1
InChIInChI=1S/C14H12F2N2O/c15-14(16)7-11(14)12(19)18-13(4-5-13)10-3-1-2-9(6-10)8-17/h1-3,6,11H,4-5,7H2,(H,18,19)/t11-/m0/s1
InChIKeyBBHFJDXOHKIKLI-NSHDSACASA-N
XLogP2.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
CID 154880376
N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide
CID 122153638
(E)-N-[1-(3-cyanophenyl)cyclopropyl]-4-(dimethylamino)but-2-enamide
CID 146097715
N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 122153612
1-[1-(3-cyanophenyl)cyclopropyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
CID 122156598
3-[[4-(3-cyanophenyl)oxan-4-yl]carbamoyl]benzoic acid
CID 154788901
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274
N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 122153691
N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 122153524
N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 122153617
4-[[1-(3-cyanophenyl)cyclopropyl]carbamoylamino]-5-phenylpentanoic acid
CID 122027628
1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide (CID 125144380) is (1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide is N#Cc1cccc(C2(NC(=O)[C@@H]3CC3(F)F)CC2)c1.
What is the InChIKey of (1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is BBHFJDXOHKIKLI-NSHDSACASA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-14(16)7-11(14)12(19)18-13(4-5-13)10-3-1-2-9(6-10)8-17/h1-3,6,11H,4-5,7H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide?
(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 125144380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).