N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide

C16H13FN2O3 — CID 40933036

IUPACN-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide
SMILESO=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1ccccc1F
InChIInChI=1S/C16H13FN2O3/c17-10-5-1-2-6-11(10)19-15(20)9-13-16(21)22-14-8-4-3-7-12(14)18-13/h1-8,13,18H,9H2,(H,19,20)/t13-/m0/s1
InChIKeyJSTJZFRQOOPDKH-ZDUSSCGKSA-N
MW300.29 g/mol
LogP2.55
Rot. Bonds3

About N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide

N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide (PubChem CID 40933036) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide
PubChem CID40933036
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC NameN-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide
SMILESO=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1ccccc1F
InChIInChI=1S/C16H13FN2O3/c17-10-5-1-2-6-11(10)19-15(20)9-13-16(21)22-14-8-4-3-7-12(14)18-13/h1-8,13,18H,9H2,(H,19,20)/t13-/m0/s1
InChIKeyJSTJZFRQOOPDKH-ZDUSSCGKSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 17067524
N-(2,5-dimethylphenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 41452841
N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 16584913
2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16584915
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776317
2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776316
2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide
CID 1183778
2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 2134578
N'-(2-fluorophenyl)propanediamide
CID 70002209
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
1-(2-fluorophenyl)-3-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]thiourea
CID 9278321
1-(2-fluorophenyl)-3-[[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]thiourea
CID 9278323

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide (CID 40933036) is N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide is O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide?
The InChIKey is JSTJZFRQOOPDKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-10-5-1-2-6-11(10)19-15(20)9-13-16(21)22-14-8-4-3-7-12(14)18-13/h1-8,13,18H,9H2,(H,19,20)/t13-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide?
N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide has a molecular weight of 300.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide is sourced from PubChem (CID 40933036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).