[phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate

C22H18ClNO2 — CID 55574225

IUPAC[phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccn1)C1CC1c1ccccc1Cl
InChIInChI=1S/C22H18ClNO2/c23-19-11-5-4-10-16(19)17-14-18(17)22(25)26-21(15-8-2-1-3-9-15)20-12-6-7-13-24-20/h1-13,17-18,21H,14H2
InChIKeyOCFIETLESNQNAH-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.17
Rot. Bonds5

About [phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate

[phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 55574225) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is [phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID55574225
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name[phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccn1)C1CC1c1ccccc1Cl
InChIInChI=1S/C22H18ClNO2/c23-19-11-5-4-10-16(19)17-14-18(17)22(25)26-21(15-8-2-1-3-9-15)20-12-6-7-13-24-20/h1-13,17-18,21H,14H2
InChIKeyOCFIETLESNQNAH-UHFFFAOYSA-N
XLogP5.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate
CID 95916441
cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 86338840
2-(2-chlorophenyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 51291710
[phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate
CID 75405434
[2-(2-chlorophenyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51291684
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225300
trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide
CID 36951570
2-(2-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 55613890
methyl 2-pyridin-2-ylcyclopropane-1-carboxylate
CID 91647742
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid
CID 119213489
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119360646
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733

Frequently Asked Questions

What is the IUPAC name of [phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of [phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate (CID 55574225) is [phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for [phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate is O=C(OC(c1ccccc1)c1ccccn1)C1CC1c1ccccc1Cl.
What is the InChIKey of [phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is OCFIETLESNQNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2/c23-19-11-5-4-10-16(19)17-14-18(17)22(25)26-21(15-8-2-1-3-9-15)20-12-6-7-13-24-20/h1-13,17-18,21H,14H2.
What are the key properties of [phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate?
[phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 363.84 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(pyridin-2-yl)methyl] 2-(2-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 55574225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).