N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide

C29H30F2N2O — CID 58064602

IUPACN-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)Nc3cc(F)cc(F)c3)cc2)CC1
InChIInChI=1S/C29H30F2N2O/c1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-12-28-24(15-23)13-14-33(28)29(34)32-27-17-25(30)16-26(31)18-27/h7-12,15-20H,2-6,13-14H2,1H3,(H,32,34)
InChIKeyGRUSVWFCNRQDJM-UHFFFAOYSA-N
MW460.57 g/mol
LogP7.91
Rot. Bonds4

About N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide

N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 58064602) has the molecular formula C29H30F2N2O and a molecular weight of 460.57 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID58064602
Molecular FormulaC29H30F2N2O
Molecular Weight460.57 g/mol
Exact Mass460.23
IUPAC NameN-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)Nc3cc(F)cc(F)c3)cc2)CC1
InChIInChI=1S/C29H30F2N2O/c1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-12-28-24(15-23)13-14-33(28)29(34)32-27-17-25(30)16-26(31)18-27/h7-12,15-20H,2-6,13-14H2,1H3,(H,32,34)
InChIKeyGRUSVWFCNRQDJM-UHFFFAOYSA-N
XLogP7.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 58064565
2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
CID 58064394
5-(4-cyclohexylphenyl)-N-cyclopentyl-2,3-dihydroindole-1-carboxamide
CID 70854159
7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 91608846
5-(4-cyclohexylphenyl)-N-(2-methoxyphenyl)-2,3-dihydroindole-1-carboxamide
CID 70854071
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687
2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
CID 91552794
2-[4-[4-[4-[(3,4-difluorophenyl)carbamoyl]-2-ethyl-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064635
7-(4-cyclohexylphenyl)-N-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carboxamide
CID 70854021
2-[4-[4-[4-[(4-aminophenyl)carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064434
2-[4-[4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
CID 91350885
2-[4-[4-[1-(heptan-2-ylcarbamoyl)-4-oxo-2,3-dihydroquinolin-6-yl]phenyl]cyclohexyl]acetic acid
CID 91081221

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 58064602) is N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide is CCC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)Nc3cc(F)cc(F)c3)cc2)CC1.
What is the InChIKey of N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is GRUSVWFCNRQDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N2O/c1-2-19-3-5-20(6-4-19)21-7-9-22(10-8-21)23-11-12-28-24(15-23)13-14-33(28)29(34)32-27-17-25(30)16-26(31)18-27/h7-12,15-20H,2-6,13-14H2,1H3,(H,32,34).
What are the key properties of N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide?
N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 7.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 58064602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).