N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide

C13H16ClNO3 — CID 110859516

IUPACN-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCOC2)cc1Cl
InChIInChI=1S/C13H16ClNO3/c1-17-12-5-4-10(7-11(12)14)15-13(16)9-3-2-6-18-8-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyBDJPYMBDABXFGX-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.71
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide

N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide (PubChem CID 110859516) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
PubChem CID110859516
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCOC2)cc1Cl
InChIInChI=1S/C13H16ClNO3/c1-17-12-5-4-10(7-11(12)14)15-13(16)9-3-2-6-18-8-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyBDJPYMBDABXFGX-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-(3-chloro-4-methoxyphenyl)thiane-4-carboxamide
CID 110859512
4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
(3S)-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]oxane-3-carboxamide
CID 124605952
N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450
N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide
CID 110859499
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 18283208
N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide
CID 155823143
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
(3S)-N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258369
N-(3-amino-4-ethylphenyl)oxane-3-carboxamide
CID 63010461

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide (CID 110859516) is N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide is COc1ccc(NC(=O)C2CCCOC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide?
The InChIKey is BDJPYMBDABXFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-17-12-5-4-10(7-11(12)14)15-13(16)9-3-2-6-18-8-9/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide is sourced from PubChem (CID 110859516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).