N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide

C12H14ClNO2 — CID 114293301

IUPACN-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1cccc(CCl)c1)C1CCOC1
InChIInChI=1S/C12H14ClNO2/c13-7-9-2-1-3-11(6-9)14-12(15)10-4-5-16-8-10/h1-3,6,10H,4-5,7-8H2,(H,14,15)
InChIKeyYNUPPNBYTVFMIS-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.40
Rot. Bonds3

About N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide

N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide (PubChem CID 114293301) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
PubChem CID114293301
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1cccc(CCl)c1)C1CCOC1
InChIInChI=1S/C12H14ClNO2/c13-7-9-2-1-3-11(6-9)14-12(15)10-4-5-16-8-10/h1-3,6,10H,4-5,7-8H2,(H,14,15)
InChIKeyYNUPPNBYTVFMIS-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
(3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 95617946
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide
CID 94810981
N-[3-(chloromethyl)phenyl]oxolan-3-amine
CID 65023855
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide (CID 114293301) is N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide is O=C(Nc1cccc(CCl)c1)C1CCOC1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is YNUPPNBYTVFMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-7-9-2-1-3-11(6-9)14-12(15)10-4-5-16-8-10/h1-3,6,10H,4-5,7-8H2,(H,14,15).
What are the key properties of N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide?
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 239.70 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 114293301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).