N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide

C15H13ClN2O — CID 115627268

IUPACN-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)C1CC1c1ccccc1
InChIInChI=1S/C15H13ClN2O/c16-11-6-7-17-14(8-11)18-15(19)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,17,18,19)
InChIKeyAZANURZPJRQLLF-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.48
Rot. Bonds3

About N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide

N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 115627268) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID115627268
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC NameN-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccn1)C1CC1c1ccccc1
InChIInChI=1S/C15H13ClN2O/c16-11-6-7-17-14(8-11)18-15(19)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,17,18,19)
InChIKeyAZANURZPJRQLLF-UHFFFAOYSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 115624549
cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 124885257
cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
CID 40650433
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198
5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide
CID 95770496
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2832952
N-(4-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108797604
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide (CID 115627268) is N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide is O=C(Nc1cc(Cl)ccn1)C1CC1c1ccccc1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is AZANURZPJRQLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-11-6-7-17-14(8-11)18-15(19)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,17,18,19).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 272.74 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 115627268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).