N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C15H11BrN2O3 — CID 110701633

IUPACN-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESO=C1COc2c(cccc2C(=O)Nc2cccc(Br)c2)N1
InChIInChI=1S/C15H11BrN2O3/c16-9-3-1-4-10(7-9)17-15(20)11-5-2-6-12-14(11)21-8-13(19)18-12/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyGQAPXIMTSDGBFC-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.03
Rot. Bonds2

About N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701633) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701633
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC NameN-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESO=C1COc2c(cccc2C(=O)Nc2cccc(Br)c2)N1
InChIInChI=1S/C15H11BrN2O3/c16-9-3-1-4-10(7-9)17-15(20)11-5-2-6-12-14(11)21-8-13(19)18-12/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyGQAPXIMTSDGBFC-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701603
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701635
N-(3-chloro-4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701599
3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701488
3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-8-carboxamide
CID 110701657
N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701653
3-oxo-N-propyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701487
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701561
4-[[(3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]methyl]benzoic acid
CID 119353511
3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide
CID 71878985
(2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide
CID 121278040
N-(3-bromo-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 104778252

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 110701633) is N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is O=C1COc2c(cccc2C(=O)Nc2cccc(Br)c2)N1.
What is the InChIKey of N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is GQAPXIMTSDGBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-9-3-1-4-10(7-9)17-15(20)11-5-2-6-12-14(11)21-8-13(19)18-12/h1-7H,8H2,(H,17,20)(H,18,19).
What are the key properties of N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 347.17 g/mol, XLogP of 3.03, 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-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).