2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane

C19H20F2N2O — CID 169176034

IUPAC2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane
SMILESCC1CC1.O=C(Nc1cccc(-c2ccccn2)c1)C1CC1(F)F
InChIInChI=1S/C15H12F2N2O.C4H8/c16-15(17)9-12(15)14(20)19-11-5-3-4-10(8-11)13-6-1-2-7-18-13;1-4-2-3-4/h1-8,12H,9H2,(H,19,20);4H,2-3H2,1H3
InChIKeyMDOVUTSMFKSJGQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.76
Rot. Bonds3

About 2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane

2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane (PubChem CID 169176034) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane.

Molecular Properties

Compound Name2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane
PubChem CID169176034
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane
SMILESCC1CC1.O=C(Nc1cccc(-c2ccccn2)c1)C1CC1(F)F
InChIInChI=1S/C15H12F2N2O.C4H8/c16-15(17)9-12(15)14(20)19-11-5-3-4-10(8-11)13-6-1-2-7-18-13;1-4-2-3-4/h1-8,12H,9H2,(H,19,20);4H,2-3H2,1H3
InChIKeyMDOVUTSMFKSJGQ-UHFFFAOYSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392143
1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide
CID 46909211
5-chloro-N-(3-pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 142392244
N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide
CID 133290845
2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide
CID 123388410
3-(methylamino)-4-methylsulfonyl-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392099
(1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 169176882
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide
CID 121024151
6-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)pyridin-2-amine
CID 161281145
N-(3-hydroxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 113287962

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane?
The IUPAC name of 2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane (CID 169176034) is 2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane.
What is the SMILES notation for 2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane?
The canonical SMILES for 2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane is CC1CC1.O=C(Nc1cccc(-c2ccccn2)c1)C1CC1(F)F.
What is the InChIKey of 2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane?
The InChIKey is MDOVUTSMFKSJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O.C4H8/c16-15(17)9-12(15)14(20)19-11-5-3-4-10(8-11)13-6-1-2-7-18-13;1-4-2-3-4/h1-8,12H,9H2,(H,19,20);4H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane?
2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane has a molecular weight of 330.38 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane is sourced from PubChem (CID 169176034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).