N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide

C19H19NO — CID 3058670

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide
SMILESO=C(NC1CCc2cc3c(cc21)CCC3)c1ccccc1
InChIInChI=1S/C19H19NO/c21-19(13-5-2-1-3-6-13)20-18-10-9-16-11-14-7-4-8-15(14)12-17(16)18/h1-3,5-6,11-12,18H,4,7-10H2,(H,20,21)
InChIKeyNVLVGCAAKUHKAG-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.59
Rot. Bonds2

About N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide (PubChem CID 3058670) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide
PubChem CID3058670
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide
SMILESO=C(NC1CCc2cc3c(cc21)CCC3)c1ccccc1
InChIInChI=1S/C19H19NO/c21-19(13-5-2-1-3-6-13)20-18-10-9-16-11-14-7-4-8-15(14)12-17(16)18/h1-3,5-6,11-12,18H,4,7-10H2,(H,20,21)
InChIKeyNVLVGCAAKUHKAG-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride
CID 53351434
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4842813
(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798644
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66799120
N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505364
N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)benzamide
CID 51281191
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride
CID 3058673

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide (CID 3058670) is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide is O=C(NC1CCc2cc3c(cc21)CCC3)c1ccccc1.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide?
The InChIKey is NVLVGCAAKUHKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c21-19(13-5-2-1-3-6-13)20-18-10-9-16-11-14-7-4-8-15(14)12-17(16)18/h1-3,5-6,11-12,18H,4,7-10H2,(H,20,21).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide?
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide has a molecular weight of 277.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide is sourced from PubChem (CID 3058670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).