N-(2-amino-4-bromophenyl)oxane-2-carboxamide

C12H15BrN2O2 — CID 62213310

IUPACN-(2-amino-4-bromophenyl)oxane-2-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)C1CCCCO1
InChIInChI=1S/C12H15BrN2O2/c13-8-4-5-10(9(14)7-8)15-12(16)11-3-1-2-6-17-11/h4-5,7,11H,1-3,6,14H2,(H,15,16)
InChIKeyQBGCSIIARRPODQ-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.54
Rot. Bonds2

About N-(2-amino-4-bromophenyl)oxane-2-carboxamide

N-(2-amino-4-bromophenyl)oxane-2-carboxamide (PubChem CID 62213310) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)oxane-2-carboxamide
PubChem CID62213310
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(2-amino-4-bromophenyl)oxane-2-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)C1CCCCO1
InChIInChI=1S/C12H15BrN2O2/c13-8-4-5-10(9(14)7-8)15-12(16)11-3-1-2-6-17-11/h4-5,7,11H,1-3,6,14H2,(H,15,16)
InChIKeyQBGCSIIARRPODQ-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
CID 75503576
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-[5-bromo-2-(ethylamino)phenyl]oxolane-2-carboxamide
CID 75499394
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
3-bromo-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855724
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 43548175
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
CID 112989098
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
N-(2-bromo-3-pyridinyl)oxane-2-carboxamide
CID 103822374

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)oxane-2-carboxamide?
The IUPAC name of N-(2-amino-4-bromophenyl)oxane-2-carboxamide (CID 62213310) is N-(2-amino-4-bromophenyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)oxane-2-carboxamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)oxane-2-carboxamide is Nc1cc(Br)ccc1NC(=O)C1CCCCO1.
What is the InChIKey of N-(2-amino-4-bromophenyl)oxane-2-carboxamide?
The InChIKey is QBGCSIIARRPODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-8-4-5-10(9(14)7-8)15-12(16)11-3-1-2-6-17-11/h4-5,7,11H,1-3,6,14H2,(H,15,16).
What are the key properties of N-(2-amino-4-bromophenyl)oxane-2-carboxamide?
N-(2-amino-4-bromophenyl)oxane-2-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)oxane-2-carboxamide is sourced from PubChem (CID 62213310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).