N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide

C16H10ClF4N3O3 — CID 87470148

IUPACN-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide
SMILESO=C1Nc2cnc(Cl)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1
InChIInChI=1S/C16H10ClF4N3O3/c17-12-5-10-11(6-22-12)24-14(26)27-15(10,16(19,20)21)7-23-13(25)8-1-3-9(18)4-2-8/h1-6H,7H2,(H,23,25)(H,24,26)
InChIKeyGFXNLZYJOUIGNT-UHFFFAOYSA-N
MW403.72 g/mol
LogP3.62
Rot. Bonds3

About N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide

N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide (PubChem CID 87470148) has the molecular formula C16H10ClF4N3O3 and a molecular weight of 403.72 g/mol. Its IUPAC name is N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide
PubChem CID87470148
Molecular FormulaC16H10ClF4N3O3
Molecular Weight403.72 g/mol
Exact Mass403.03
IUPAC NameN-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide
SMILESO=C1Nc2cnc(Cl)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1
InChIInChI=1S/C16H10ClF4N3O3/c17-12-5-10-11(6-22-12)24-14(26)27-15(10,16(19,20)21)7-23-13(25)8-1-3-9(18)4-2-8/h1-6H,7H2,(H,23,25)(H,24,26)
InChIKeyGFXNLZYJOUIGNT-UHFFFAOYSA-N
XLogP3.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.72
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide 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-fluoro-N-[(2S)-1-(2-oxospiro[1H-pyrido[3,2-d][1,3]oxazine-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
CID 166627575
1'-(2-fluorobenzoyl)spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134795342
1'-benzoylspiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134791952
3-[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]-N-pyridin-3-ylpropanamide
CID 25254410
Methyl 3-[(4-chloro-2,5-difluorobenzoyl)amino]pyridine-4-carboxylate
CID 57753131
1'-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 66662252
1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 66662589
N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-6-fluoropyridine-3-carboxamide
CID 68487117
3-[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]-N-(6-fluoropyridin-3-yl)propanamide
CID 68488059
N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]pyridine-2-carboxamide
CID 68488176
N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 68488212
N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]pyridine-4-carboxamide
CID 68488222

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide (CID 87470148) is N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide is O=C1Nc2cnc(Cl)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1.
What is the InChIKey of N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide?
The InChIKey is GFXNLZYJOUIGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4N3O3/c17-12-5-10-11(6-22-12)24-14(26)27-15(10,16(19,20)21)7-23-13(25)8-1-3-9(18)4-2-8/h1-6H,7H2,(H,23,25)(H,24,26).
What are the key properties of N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide?
N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide has a molecular weight of 403.72 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-pyrido[3,4-d][1,3]oxazin-4-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 87470148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).