N-(3-chloro-2-methylphenyl)oxane-2-carboxamide

C13H16ClNO2 — CID 110859024

IUPACN-(3-chloro-2-methylphenyl)oxane-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCCO1
InChIInChI=1S/C13H16ClNO2/c1-9-10(14)5-4-6-11(9)15-13(16)12-7-2-3-8-17-12/h4-6,12H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyFKCWOOLHOMEKFY-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.16
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)oxane-2-carboxamide

N-(3-chloro-2-methylphenyl)oxane-2-carboxamide (PubChem CID 110859024) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)oxane-2-carboxamide
PubChem CID110859024
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-(3-chloro-2-methylphenyl)oxane-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCCO1
InChIInChI=1S/C13H16ClNO2/c1-9-10(14)5-4-6-11(9)15-13(16)12-7-2-3-8-17-12/h4-6,12H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyFKCWOOLHOMEKFY-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7248012
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
N-[2-(chloromethyl)phenyl]oxane-2-carboxamide
CID 114298099
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
CID 87007046
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)oxane-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)oxane-2-carboxamide (CID 110859024) is N-(3-chloro-2-methylphenyl)oxane-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)oxane-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)oxane-2-carboxamide is Cc1c(Cl)cccc1NC(=O)C1CCCCO1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)oxane-2-carboxamide?
The InChIKey is FKCWOOLHOMEKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-10(14)5-4-6-11(9)15-13(16)12-7-2-3-8-17-12/h4-6,12H,2-3,7-8H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-2-methylphenyl)oxane-2-carboxamide?
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)oxane-2-carboxamide is sourced from PubChem (CID 110859024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).