1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

C16H15ClN2O — CID 110438421

IUPAC1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C16H15ClN2O/c17-14-7-2-1-6-13(14)16(8-9-16)15(20)19-11-12-5-3-4-10-18-12/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyWXUKOSPEVLLINX-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 110438421) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID110438421
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccn1)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C16H15ClN2O/c17-14-7-2-1-6-13(14)16(8-9-16)15(20)19-11-12-5-3-4-10-18-12/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyWXUKOSPEVLLINX-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
1-(6-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113211076
1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113210584
1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438440
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426
1-N'-(4-chlorophenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976694
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
1-carbamothioyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80592731
1-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)cyclopropane-1-carboxamide
CID 110438464

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (CID 110438421) is 1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccccn1)C1(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is WXUKOSPEVLLINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-14-7-2-1-6-13(14)16(8-9-16)15(20)19-11-12-5-3-4-10-18-12/h1-7,10H,8-9,11H2,(H,19,20).
What are the key properties of 1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110438421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).