2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide

C18H22ClNO2 — CID 49197078

IUPAC2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(C1CC1c1cccc(Cl)c1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C18H22ClNO2/c19-14-3-1-2-13(8-14)16-9-17(16)18(21)20(15-4-5-15)10-12-6-7-22-11-12/h1-3,8,12,15-17H,4-7,9-11H2
InChIKeySCWBWGQUAHEIPQ-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.47
Rot. Bonds5

About 2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 49197078) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID49197078
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(C1CC1c1cccc(Cl)c1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C18H22ClNO2/c19-14-3-1-2-13(8-14)16-9-17(16)18(21)20(15-4-5-15)10-12-6-7-22-11-12/h1-3,8,12,15-17H,4-7,9-11H2
InChIKeySCWBWGQUAHEIPQ-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-1-[(3S,4S)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 126804825
3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(tetrahydro-2H-pyran-4-yl)propanamide
CID 45171021
2-(3-Chlorophenyl)-N-[(oxolan-3-YL)methyl]-N-propylacetamide
CID 91915472
2-(3-chlorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylacetamide
CID 99738868
3-(3-chlorophenyl)-1-[4-[(3S)-oxolan-3-yl]-1,4-diazepan-1-yl]propan-1-one
CID 164633319
[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
CID 164641166
N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 71941531
trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 97013970
cis-(1R,2S)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 97013971
cis-(1R,2S)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 98784732
trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 98784733
3-(3-Chloro-4-fluorophenyl)-1-(3-(cyclopropylmethoxy)pyrrolidin-1-yl)propan-1-one
CID 121197460

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide (CID 49197078) is 2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide is O=C(C1CC1c1cccc(Cl)c1)N(CC1CCOC1)C1CC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is SCWBWGQUAHEIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c19-14-3-1-2-13(8-14)16-9-17(16)18(21)20(15-4-5-15)10-12-6-7-22-11-12/h1-3,8,12,15-17H,4-7,9-11H2.
What are the key properties of 2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 319.83 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 49197078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).