N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C15H13BrN2O2 — CID 24694997

IUPACN-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CNc2ccccc2O1
InChIInChI=1S/C15H13BrN2O2/c16-10-4-3-5-11(8-10)18-15(19)14-9-17-12-6-1-2-7-13(12)20-14/h1-8,14,17H,9H2,(H,18,19)
InChIKeyICJJORFKOSBSSE-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.26
Rot. Bonds2

About N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 24694997) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID24694997
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CNc2ccccc2O1
InChIInChI=1S/C15H13BrN2O2/c16-10-4-3-5-11(8-10)18-15(19)14-9-17-12-6-1-2-7-13(12)20-14/h1-8,14,17H,9H2,(H,18,19)
InChIKeyICJJORFKOSBSSE-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107583524
N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43100505
N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 79240195
N-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107701393
N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 62811648
N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 50823424
N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565871
N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43540252
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786757
N-(1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 55215106
N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24701248
N-(2-chloro-6-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 66256274

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 24694997) is N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is O=C(Nc1cccc(Br)c1)C1CNc2ccccc2O1.
What is the InChIKey of N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is ICJJORFKOSBSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-10-4-3-5-11(8-10)18-15(19)14-9-17-12-6-1-2-7-13(12)20-14/h1-8,14,17H,9H2,(H,18,19).
What are the key properties of N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 24694997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).