2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide

C14H14ClNO3 — CID 19800035

IUPAC2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide
SMILESO=C1OCCC1N(C(=O)C1CC1Cl)c1ccccc1
InChIInChI=1S/C14H14ClNO3/c15-11-8-10(11)13(17)16(9-4-2-1-3-5-9)12-6-7-19-14(12)18/h1-5,10-12H,6-8H2
InChIKeyDJBZIEJOVYBFKJ-UHFFFAOYSA-N
MW279.72 g/mol
LogP1.96
Rot. Bonds3

About 2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide

2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide (PubChem CID 19800035) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide
PubChem CID19800035
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide
SMILESO=C1OCCC1N(C(=O)C1CC1Cl)c1ccccc1
InChIInChI=1S/C14H14ClNO3/c15-11-8-10(11)13(17)16(9-4-2-1-3-5-9)12-6-7-19-14(12)18/h1-5,10-12H,6-8H2
InChIKeyDJBZIEJOVYBFKJ-UHFFFAOYSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide
CID 151987283
3-[bis(triphenylsilyl)amino]oxolan-2-one
CID 89421967
N-benzyl-N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 57349236
2,2,2-trichloroethyl N-[4-chloro-2-(N-[(1S,2R)-2-chlorocyclopropanecarbonyl]anilino)cyclopentyl]-N-methylcarbamate
CID 70601169
N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)-2-phenylethanethioamide
CID 152689807
2,2,2-trichloroethyl N-[6-chloro-2-(N-[(1S,2R)-2-chlorocyclopropanecarbonyl]anilino)cycloheptyl]-N-methylcarbamate
CID 70592099
N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)but-2-enamide
CID 71403746
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
tert-butyl-[(3S)-2-oxooxolan-3-yl]carbamic acid
CID 68944650
[2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate
CID 12796014
N-(5-chloro-2-methoxyphenyl)-N-(2-oxooxolan-3-yl)furan-2-carboxamide
CID 151041504
3-(dimethylamino)oxolan-2-one
CID 22088506

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide (CID 19800035) is 2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide is O=C1OCCC1N(C(=O)C1CC1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide?
The InChIKey is DJBZIEJOVYBFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c15-11-8-10(11)13(17)16(9-4-2-1-3-5-9)12-6-7-19-14(12)18/h1-5,10-12H,6-8H2.
What are the key properties of 2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide?
2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide has a molecular weight of 279.72 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxooxolan-3-yl)-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 19800035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).