3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide

C17H18N2O2 — CID 43694186

IUPAC3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide
SMILESCc1c(NC2CCc3c(O)cccc32)cccc1C(N)=O
InChIInChI=1S/C17H18N2O2/c1-10-11(17(18)21)4-2-6-14(10)19-15-9-8-13-12(15)5-3-7-16(13)20/h2-7,15,19-20H,8-9H2,1H3,(H2,18,21)
InChIKeyUWAFFTDUJUHVKN-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.90
Rot. Bonds3

About 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide

3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide (PubChem CID 43694186) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide
PubChem CID43694186
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide
SMILESCc1c(NC2CCc3c(O)cccc32)cccc1C(N)=O
InChIInChI=1S/C17H18N2O2/c1-10-11(17(18)21)4-2-6-14(10)19-15-9-8-13-12(15)5-3-7-16(13)20/h2-7,15,19-20H,8-9H2,1H3,(H2,18,21)
InChIKeyUWAFFTDUJUHVKN-UHFFFAOYSA-N
XLogP2.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbenzoic acid
CID 43736148
3-[(4-aminocyclohexyl)amino]-2-methylbenzamide
CID 79723896
2-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43694058
1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637031
3-[(3-aminocyclobutyl)amino]-2-methylbenzamide
CID 80560029
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 133403593
3-[(2,2-dimethylcyclopentyl)amino]-2-methylbenzamide
CID 79860471
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide
CID 43636972
1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 61379245
3-[(2-methoxycyclohexyl)amino]-2-methylbenzamide
CID 43783378
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-methylbenzamide
CID 43694209

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide?
The IUPAC name of 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide (CID 43694186) is 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide.
What is the SMILES notation for 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide?
The canonical SMILES for 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide is Cc1c(NC2CCc3c(O)cccc32)cccc1C(N)=O.
What is the InChIKey of 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide?
The InChIKey is UWAFFTDUJUHVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-11(17(18)21)4-2-6-14(10)19-15-9-8-13-12(15)5-3-7-16(13)20/h2-7,15,19-20H,8-9H2,1H3,(H2,18,21).
What are the key properties of 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide?
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide is sourced from PubChem (CID 43694186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).