3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide

C15H13N3O3 — CID 154768927

IUPAC3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
SMILESNc1cccc(C(=O)Nc2cccc3c2NC(=O)CO3)c1
InChIInChI=1S/C15H13N3O3/c16-10-4-1-3-9(7-10)15(20)17-11-5-2-6-12-14(11)18-13(19)8-21-12/h1-7H,8,16H2,(H,17,20)(H,18,19)
InChIKeyXAEKRRONFNASDT-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.85
Rot. Bonds2

About 3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide

3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide (PubChem CID 154768927) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
PubChem CID154768927
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
SMILESNc1cccc(C(=O)Nc2cccc3c2NC(=O)CO3)c1
InChIInChI=1S/C15H13N3O3/c16-10-4-1-3-9(7-10)15(20)17-11-5-2-6-12-14(11)18-13(19)8-21-12/h1-7H,8,16H2,(H,17,20)(H,18,19)
InChIKeyXAEKRRONFNASDT-UHFFFAOYSA-N
XLogP1.85
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
CID 110713165
5-bromo-N-(3-oxo-4H-1,4-benzoxazin-5-yl)furan-2-carboxamide
CID 110742113
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide
CID 110713199
1-benzyl-3-(3-oxo-4H-1,4-benzoxazin-5-yl)urea
CID 110747359
N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699718
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate
CID 110699795
N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763814
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 31966312
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699743

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide?
The IUPAC name of 3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide (CID 154768927) is 3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide.
What is the SMILES notation for 3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide?
The canonical SMILES for 3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide is Nc1cccc(C(=O)Nc2cccc3c2NC(=O)CO3)c1.
What is the InChIKey of 3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide?
The InChIKey is XAEKRRONFNASDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-10-4-1-3-9(7-10)15(20)17-11-5-2-6-12-14(11)18-13(19)8-21-12/h1-7H,8,16H2,(H,17,20)(H,18,19).
What are the key properties of 3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide?
3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide has a molecular weight of 283.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide is sourced from PubChem (CID 154768927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).