7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

C17H21F3N2O — CID 146395012

IUPAC7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC1CCC(C(F)(F)F)CC1)C2
InChIInChI=1S/C17H21F3N2O/c1-10-3-2-4-11-9-14(22-15(10)11)16(23)21-13-7-5-12(6-8-13)17(18,19)20/h2-4,12-14,22H,5-9H2,1H3,(H,21,23)
InChIKeyKVLUHLZAWPPJFN-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.57
Rot. Bonds2

About 7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146395012) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is 7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146395012
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC1CCC(C(F)(F)F)CC1)C2
InChIInChI=1S/C17H21F3N2O/c1-10-3-2-4-11-9-14(22-15(10)11)16(23)21-13-7-5-12(6-8-13)17(18,19)20/h2-4,12-14,22H,5-9H2,1H3,(H,21,23)
InChIKeyKVLUHLZAWPPJFN-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-N-[4-[(2-piperidin-3-ylacetyl)amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644503
N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394447
N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395195
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146644405
(2R)-7-methyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 130642989
N-(4-aminocyclohexyl)-5,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394486
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394864
N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394934
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394481
7-methyl-N-(1,3-oxazolidin-4-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146394940
ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 146395282

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146395012) is 7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1cccc2c1NC(C(=O)NC1CCC(C(F)(F)F)CC1)C2.
What is the InChIKey of 7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is KVLUHLZAWPPJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O/c1-10-3-2-4-11-9-14(22-15(10)11)16(23)21-13-7-5-12(6-8-13)17(18,19)20/h2-4,12-14,22H,5-9H2,1H3,(H,21,23).
What are the key properties of 7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?
7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146395012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).