1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide

C14H14ClNO3 — CID 73033106

IUPAC1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide
SMILESO=C1OCCC1NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H14ClNO3/c15-10-3-1-9(2-4-10)14(6-7-14)13(18)16-11-5-8-19-12(11)17/h1-4,11H,5-8H2,(H,16,18)
InChIKeyJNIWVSYCRQDCRA-UHFFFAOYSA-N
MW279.72 g/mol
LogP1.80
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide (PubChem CID 73033106) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide
PubChem CID73033106
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide
SMILESO=C1OCCC1NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H14ClNO3/c15-10-3-1-9(2-4-10)14(6-7-14)13(18)16-11-5-8-19-12(11)17/h1-4,11H,5-8H2,(H,16,18)
InChIKeyJNIWVSYCRQDCRA-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide
CID 115881748
1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119450721
5-chloro-2-hydroxy-N-(2-oxooxolan-3-yl)benzamide
CID 43824572
1-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 78767408
2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide
CID 43822721
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 60568880
benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 143174173
4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79192813
1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
CID 28849709
1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide
CID 71495726
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-chlorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119455788
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide (CID 73033106) is 1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide is O=C1OCCC1NC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide?
The InChIKey is JNIWVSYCRQDCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c15-10-3-1-9(2-4-10)14(6-7-14)13(18)16-11-5-8-19-12(11)17/h1-4,11H,5-8H2,(H,16,18).
What are the key properties of 1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide has a molecular weight of 279.72 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 73033106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).