N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide

C14H16FNO3 — CID 167514497

IUPACN-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cc(F)c2c(c1)CC(C=O)C2
InChIInChI=1S/C14H16FNO3/c1-14(2,19)13(18)16-10-5-9-3-8(7-17)4-11(9)12(15)6-10/h5-8,19H,3-4H2,1-2H3,(H,16,18)
InChIKeyLNRPXBWYFQOGPL-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.45
Rot. Bonds3

About N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide

N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 167514497) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide
PubChem CID167514497
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cc(F)c2c(c1)CC(C=O)C2
InChIInChI=1S/C14H16FNO3/c1-14(2,19)13(18)16-10-5-9-3-8(7-17)4-11(9)12(15)6-10/h5-8,19H,3-4H2,1-2H3,(H,16,18)
InChIKeyLNRPXBWYFQOGPL-UHFFFAOYSA-N
XLogP1.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxamide
CID 167514432
2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide
CID 167514581
tert-butyl 4-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 175552430
tert-butyl (3S)-4-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 167514603
tert-butyl N-[1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamate
CID 175552439
methyl 3-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156861926
1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid
CID 166759574
2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 104936943
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide (CID 167514497) is N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)Nc1cc(F)c2c(c1)CC(C=O)C2.
What is the InChIKey of N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is LNRPXBWYFQOGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-14(2,19)13(18)16-10-5-9-3-8(7-17)4-11(9)12(15)6-10/h5-8,19H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide?
N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 265.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 167514497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).