4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide

C18H16FN3O4 — CID 46674146

IUPAC4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide
SMILESCC1Oc2ccc(NC(=O)CNC(=O)c3ccc(F)cc3)cc2NC1=O
InChIInChI=1S/C18H16FN3O4/c1-10-17(24)22-14-8-13(6-7-15(14)26-10)21-16(23)9-20-18(25)11-2-4-12(19)5-3-11/h2-8,10H,9H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyNMJPNEIDGPWKJV-UHFFFAOYSA-N
MW357.34 g/mol
LogP1.91
Rot. Bonds4

About 4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide (PubChem CID 46674146) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide
PubChem CID46674146
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide
SMILESCC1Oc2ccc(NC(=O)CNC(=O)c3ccc(F)cc3)cc2NC1=O
InChIInChI=1S/C18H16FN3O4/c1-10-17(24)22-14-8-13(6-7-15(14)26-10)21-16(23)9-20-18(25)11-2-4-12(19)5-3-11/h2-8,10H,9H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyNMJPNEIDGPWKJV-UHFFFAOYSA-N
XLogP1.91
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 26002088
N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 9145419
2-(difluoromethoxy)-N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 9146093
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
3-(4-fluorophenyl)sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 9146076
N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18126600
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9145472
3-(4-fluorophenyl)sulfonyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 9145505
3-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129774
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide (CID 46674146) is 4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide is CC1Oc2ccc(NC(=O)CNC(=O)c3ccc(F)cc3)cc2NC1=O.
What is the InChIKey of 4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is NMJPNEIDGPWKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-10-17(24)22-14-8-13(6-7-15(14)26-10)21-16(23)9-20-18(25)11-2-4-12(19)5-3-11/h2-8,10H,9H2,1H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of 4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 357.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46674146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).