4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide

C19H18FN3O4 — CID 53085009

IUPAC4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCN(C)C(=O)CN1C(=O)COc2ccc(C(=O)Nc3cccc(F)c3)cc21
InChIInChI=1S/C19H18FN3O4/c1-22(2)17(24)10-23-15-8-12(6-7-16(15)27-11-18(23)25)19(26)21-14-5-3-4-13(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,26)
InChIKeySSGSVCCYXSWXKK-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.89
Rot. Bonds4

About 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide

4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 53085009) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID53085009
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCN(C)C(=O)CN1C(=O)COc2ccc(C(=O)Nc3cccc(F)c3)cc21
InChIInChI=1S/C19H18FN3O4/c1-22(2)17(24)10-23-15-8-12(6-7-16(15)27-11-18(23)25)19(26)21-14-5-3-4-13(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,26)
InChIKeySSGSVCCYXSWXKK-UHFFFAOYSA-N
XLogP1.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-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

N-(3-fluorophenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 9072356
N-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023929
2-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-fluorophenyl)acetamide
CID 46155446
N-(3-chloro-4-methoxyphenyl)-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023940
4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806
N,N-diethyl-4-[2-(3-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012392
methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 26434581
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
CID 110763913
N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 30378601
N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763933
N-[3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-4-fluorophenyl]-1,3-benzodioxole-5-carboxamide
CID 35098411
4-[2-(2-ethylanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012300

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide (CID 53085009) is 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide is CN(C)C(=O)CN1C(=O)COc2ccc(C(=O)Nc3cccc(F)c3)cc21.
What is the InChIKey of 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is SSGSVCCYXSWXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-22(2)17(24)10-23-15-8-12(6-7-16(15)27-11-18(23)25)19(26)21-14-5-3-4-13(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,26).
What are the key properties of 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide?
4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 53085009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).