N-(3-chlorophenyl)oxolane-3-carboxamide

C11H12ClNO2 — CID 47443169

IUPACN-(3-chlorophenyl)oxolane-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C11H12ClNO2/c12-9-2-1-3-10(6-9)13-11(14)8-4-5-15-7-8/h1-3,6,8H,4-5,7H2,(H,13,14)
InChIKeyZIJYLGHDYDVFMC-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.32
Rot. Bonds2

About N-(3-chlorophenyl)oxolane-3-carboxamide

N-(3-chlorophenyl)oxolane-3-carboxamide (PubChem CID 47443169) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is N-(3-chlorophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)oxolane-3-carboxamide
PubChem CID47443169
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC NameN-(3-chlorophenyl)oxolane-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C11H12ClNO2/c12-9-2-1-3-10(6-9)13-11(14)8-4-5-15-7-8/h1-3,6,8H,4-5,7H2,(H,13,14)
InChIKeyZIJYLGHDYDVFMC-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
3-chloro-5-(oxolane-3-carbonylamino)benzoic acid
CID 81361980
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide
CID 94824302

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)oxolane-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)oxolane-3-carboxamide (CID 47443169) is N-(3-chlorophenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)oxolane-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCOC1.
What is the InChIKey of N-(3-chlorophenyl)oxolane-3-carboxamide?
The InChIKey is ZIJYLGHDYDVFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-2-1-3-10(6-9)13-11(14)8-4-5-15-7-8/h1-3,6,8H,4-5,7H2,(H,13,14).
What are the key properties of N-(3-chlorophenyl)oxolane-3-carboxamide?
N-(3-chlorophenyl)oxolane-3-carboxamide has a molecular weight of 225.68 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 47443169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).