N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

C18H17FN2O3 — CID 110770527

IUPACN-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCC1Oc2ccc(CC(=O)NCc3ccccc3F)cc2NC1=O
InChIInChI=1S/C18H17FN2O3/c1-11-18(23)21-15-8-12(6-7-16(15)24-11)9-17(22)20-10-13-4-2-3-5-14(13)19/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyPPSQSQXKTFMLEH-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.40
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (PubChem CID 110770527) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
PubChem CID110770527
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCC1Oc2ccc(CC(=O)NCc3ccccc3F)cc2NC1=O
InChIInChI=1S/C18H17FN2O3/c1-11-18(23)21-15-8-12(6-7-16(15)24-11)9-17(22)20-10-13-4-2-3-5-14(13)19/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyPPSQSQXKTFMLEH-UHFFFAOYSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide 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

2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770558
2-(3-fluorophenyl)-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110790075
1-[2-(2-fluorophenyl)ethyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]urea
CID 129366717
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide
CID 110783645
N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770569
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyridine-2-carboxamide
CID 110794357
N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9145472
2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17413196
N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770570
N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 9145419
1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-propan-2-ylurea
CID 110775237

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (CID 110770527) is N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is CC1Oc2ccc(CC(=O)NCc3ccccc3F)cc2NC1=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is PPSQSQXKTFMLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11-18(23)21-15-8-12(6-7-16(15)24-11)9-17(22)20-10-13-4-2-3-5-14(13)19/h2-8,11H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 328.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 110770527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).