4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C17H16N2O3 — CID 18104204

IUPAC4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2ccccc2)Oc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-12(20)19-11-16(22-15-10-6-5-9-14(15)19)17(21)18-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,18,21)
InChIKeyLEOVQONLHKQEQN-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.44
Rot. Bonds2

About 4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 18104204) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID18104204
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2ccccc2)Oc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-12(20)19-11-16(22-15-10-6-5-9-14(15)19)17(21)18-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,18,21)
InChIKeyLEOVQONLHKQEQN-UHFFFAOYSA-N
XLogP2.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 45281354
(2S)-4-acetyl-N-(4-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51640478
(2S)-4-acetyl-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41323984
4-acetyl-N-(3,4-dichlorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43029722
4-acetyl-N-[4-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42896036
(2S)-4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30991486
4-acetyl-N-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18194453
4-acetyl-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 17398554
N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18154126
(2R)-4-acetyl-N-(1-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51537801
(2S)-4-acetyl-N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41095791
(2R)-4-acetyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41190203

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 18104204) is 4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC(=O)N1CC(C(=O)Nc2ccccc2)Oc2ccccc21.
What is the InChIKey of 4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is LEOVQONLHKQEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(20)19-11-16(22-15-10-6-5-9-14(15)19)17(21)18-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H,18,21).
What are the key properties of 4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 18104204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).