N-(2-bromophenyl)oxane-2-carboxamide

C12H14BrNO2 — CID 62214619

IUPACN-(2-bromophenyl)oxane-2-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCCCO1
InChIInChI=1S/C12H14BrNO2/c13-9-5-1-2-6-10(9)14-12(15)11-7-3-4-8-16-11/h1-2,5-6,11H,3-4,7-8H2,(H,14,15)
InChIKeyMWDPIAGQXYGION-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.96
Rot. Bonds2

About N-(2-bromophenyl)oxane-2-carboxamide

N-(2-bromophenyl)oxane-2-carboxamide (PubChem CID 62214619) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(2-bromophenyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)oxane-2-carboxamide
PubChem CID62214619
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-(2-bromophenyl)oxane-2-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCCCO1
InChIInChI=1S/C12H14BrNO2/c13-9-5-1-2-6-10(9)14-12(15)11-7-3-4-8-16-11/h1-2,5-6,11H,3-4,7-8H2,(H,14,15)
InChIKeyMWDPIAGQXYGION-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-3-pyridinyl)oxane-2-carboxamide
CID 103822374
N-[2-(chloromethyl)phenyl]oxane-2-carboxamide
CID 114298099
3-bromo-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855724
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide
CID 76937440
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
CID 104855642
N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79260937
N-(2-amino-4-bromophenyl)oxane-2-carboxamide
CID 62213310

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)oxane-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)oxane-2-carboxamide (CID 62214619) is N-(2-bromophenyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)oxane-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)oxane-2-carboxamide is O=C(Nc1ccccc1Br)C1CCCCO1.
What is the InChIKey of N-(2-bromophenyl)oxane-2-carboxamide?
The InChIKey is MWDPIAGQXYGION-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-9-5-1-2-6-10(9)14-12(15)11-7-3-4-8-16-11/h1-2,5-6,11H,3-4,7-8H2,(H,14,15).
What are the key properties of N-(2-bromophenyl)oxane-2-carboxamide?
N-(2-bromophenyl)oxane-2-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)oxane-2-carboxamide is sourced from PubChem (CID 62214619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).