N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide

C12H13BrClNO2 — CID 103824509

IUPACN-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCCCO1
InChIInChI=1S/C12H13BrClNO2/c13-9-5-4-8(7-10(9)14)15-12(16)11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2,(H,15,16)
InChIKeyQRYZFQMVPHAUSZ-UHFFFAOYSA-N
MW318.60 g/mol
LogP3.61
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide

N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide (PubChem CID 103824509) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
PubChem CID103824509
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC NameN-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCCCO1
InChIInChI=1S/C12H13BrClNO2/c13-9-5-4-8(7-10(9)14)15-12(16)11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2,(H,15,16)
InChIKeyQRYZFQMVPHAUSZ-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
CID 900578
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide
CID 9319932
N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide (CID 103824509) is N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)C1CCCCO1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide?
The InChIKey is QRYZFQMVPHAUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-9-5-4-8(7-10(9)14)15-12(16)11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2,(H,15,16).
What are the key properties of N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide?
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide has a molecular weight of 318.60 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide is sourced from PubChem (CID 103824509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).