N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide

C23H18N2O4 — CID 1472700

IUPACN-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide
SMILESO=C1COc2ccc(C(=O)c3ccccc3C(=O)NCc3ccccc3)cc2N1
InChIInChI=1S/C23H18N2O4/c26-21-14-29-20-11-10-16(12-19(20)25-21)22(27)17-8-4-5-9-18(17)23(28)24-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,24,28)(H,25,26)
InChIKeyVNFIELQHNGCKMZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.18
Rot. Bonds5

About N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide

N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide (PubChem CID 1472700) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide
PubChem CID1472700
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC NameN-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide
SMILESO=C1COc2ccc(C(=O)c3ccccc3C(=O)NCc3ccccc3)cc2N1
InChIInChI=1S/C23H18N2O4/c26-21-14-29-20-11-10-16(12-19(20)25-21)22(27)17-8-4-5-9-18(17)23(28)24-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,24,28)(H,25,26)
InChIKeyVNFIELQHNGCKMZ-UHFFFAOYSA-N
XLogP3.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Azd-9977
CID 118599727
2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide
CID 135567452
6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one
CID 135567449
4-Cyanomethyl-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid phenylamide
CID 1442281
2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(3-methylphenyl)acetamide
CID 2151930
4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-(2-ethoxyphenyl)benzamide
CID 2273251
2-(4-acetylphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
CID 2543985
N-{2-[2-(4-methoxyphenyl)-2-oxoethoxy]-5-methylphenyl}acetamide
CID 2728500
4-Cyanomethyl-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid cyclohexylamide
CID 3222914
2,2-Dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-yl-ethyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid isopropylamide
CID 3223043
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-fluorophenyl)acetate
CID 3979894
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] heptanoate
CID 4081703

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide?
The IUPAC name of N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide (CID 1472700) is N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide.
What is the SMILES notation for N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide?
The canonical SMILES for N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide is O=C1COc2ccc(C(=O)c3ccccc3C(=O)NCc3ccccc3)cc2N1.
What is the InChIKey of N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide?
The InChIKey is VNFIELQHNGCKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-21-14-29-20-11-10-16(12-19(20)25-21)22(27)17-8-4-5-9-18(17)23(28)24-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,24,28)(H,25,26).
What are the key properties of N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide?
N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide has a molecular weight of 386.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide is sourced from PubChem (CID 1472700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).