N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C24H21FN2O4 — CID 33271946

IUPACN-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C24H21FN2O4/c25-18-6-4-8-20(14-18)30-15-17-5-3-7-19(13-17)26-23(28)11-12-27-21-9-1-2-10-22(21)31-16-24(27)29/h1-10,13-14H,11-12,15-16H2,(H,26,28)
InChIKeyKPBRWGUSJOZTGZ-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.16
Rot. Bonds7

About N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 33271946) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID33271946
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C24H21FN2O4/c25-18-6-4-8-20(14-18)30-15-17-5-3-7-19(13-17)26-23(28)11-12-27-21-9-1-2-10-22(21)31-16-24(27)29/h1-10,13-14H,11-12,15-16H2,(H,26,28)
InChIKeyKPBRWGUSJOZTGZ-UHFFFAOYSA-N
XLogP4.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 38613381
ethyl 3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoate
CID 9228361
N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191726
2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
CID 9237538
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9192840
N-(3-iodo-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285532
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9210916
1-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-phenylthiourea
CID 24644106
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 39956346
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide
CID 60513959
N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46463428
phenyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 9192012

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 33271946) is N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is KPBRWGUSJOZTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c25-18-6-4-8-20(14-18)30-15-17-5-3-7-19(13-17)26-23(28)11-12-27-21-9-1-2-10-22(21)31-16-24(27)29/h1-10,13-14H,11-12,15-16H2,(H,26,28).
What are the key properties of N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 420.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 33271946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).