N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide

C12H14ClNO2 — CID 2971265

IUPACN-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCO1
InChIInChI=1S/C12H14ClNO2/c13-10-4-1-3-9(7-10)8-14-12(15)11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15)
InChIKeyJVUIAGILKKGFTQ-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.14
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide

N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide (PubChem CID 2971265) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
PubChem CID2971265
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCCO1
InChIInChI=1S/C12H14ClNO2/c13-10-4-1-3-9(7-10)8-14-12(15)11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15)
InChIKeyJVUIAGILKKGFTQ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
N-[[3-(phenylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 46475223
(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide
CID 170159902
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[3-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111198010
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506807
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide (CID 2971265) is N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCCO1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide?
The InChIKey is JVUIAGILKKGFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-1-3-9(7-10)8-14-12(15)11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15).
What are the key properties of N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide?
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide has a molecular weight of 239.70 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 2971265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).