N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide

C19H19FN2O2 — CID 139000372

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCN1CCOc2ccc(C(=O)NC3CCc4cc(F)ccc43)cc21
InChIInChI=1S/C19H19FN2O2/c1-22-8-9-24-18-7-3-13(11-17(18)22)19(23)21-16-6-2-12-10-14(20)4-5-15(12)16/h3-5,7,10-11,16H,2,6,8-9H2,1H3,(H,21,23)
InChIKeyQSPROZCUMVSMQH-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.07
Rot. Bonds2

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 139000372) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
PubChem CID139000372
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCN1CCOc2ccc(C(=O)NC3CCc4cc(F)ccc43)cc21
InChIInChI=1S/C19H19FN2O2/c1-22-8-9-24-18-7-3-13(11-17(18)22)19(23)21-16-6-2-12-10-14(20)4-5-15(12)16/h3-5,7,10-11,16H,2,6,8-9H2,1H3,(H,21,23)
InChIKeyQSPROZCUMVSMQH-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide with MolForge

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Related Compounds

ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 145415820
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 47387060
1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
CID 95614509
4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 110750983
3-cyclopropyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-5-carboxamide
CID 119037715
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47380214
4-methyl-N-[(1R,2S)-2-(oxan-4-ylamino)cyclobutyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 133132511
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115929026
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122065402
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide (CID 139000372) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide is CN1CCOc2ccc(C(=O)NC3CCc4cc(F)ccc43)cc21.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The InChIKey is QSPROZCUMVSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-22-8-9-24-18-7-3-13(11-17(18)22)19(23)21-16-6-2-12-10-14(20)4-5-15(12)16/h3-5,7,10-11,16H,2,6,8-9H2,1H3,(H,21,23).
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 139000372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).