N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide

C17H20F2N2O — CID 154834919

IUPACN-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NC3CCC(F)(F)CC3)cccc2c1C
InChIInChI=1S/C17H20F2N2O/c1-10-11(2)20-15-13(10)4-3-5-14(15)16(22)21-12-6-8-17(18,19)9-7-12/h3-5,12,20H,6-9H2,1-2H3,(H,21,22)
InChIKeyMWRIAAWUFNJUOK-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.09
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide

N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 154834919) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID154834919
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC NameN-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NC3CCC(F)(F)CC3)cccc2c1C
InChIInChI=1S/C17H20F2N2O/c1-10-11(2)20-15-13(10)4-3-5-14(15)16(22)21-12-6-8-17(18,19)9-7-12/h3-5,12,20H,6-9H2,1-2H3,(H,21,22)
InChIKeyMWRIAAWUFNJUOK-UHFFFAOYSA-N
XLogP4.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,4R)-4-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]pyrrolidine-2-carboxylate
CID 118759502
N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97433741
N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
CID 121021872
1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea
CID 47383567
2,3-dimethyl-1H-indole-7-carboxylate
CID 6950947
N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 30853286
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111451352
5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide
CID 167935882
N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111471562
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97454271
N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 78852520
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide (CID 154834919) is N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)NC3CCC(F)(F)CC3)cccc2c1C.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is MWRIAAWUFNJUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O/c1-10-11(2)20-15-13(10)4-3-5-14(15)16(22)21-12-6-8-17(18,19)9-7-12/h3-5,12,20H,6-9H2,1-2H3,(H,21,22).
What are the key properties of N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide?
N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 154834919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).