N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

C24H28FN3O — CID 135171023

IUPACN-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCC(NCc2cccc(F)c2)C1
InChIInChI=1S/C24H28FN3O/c1-2-28(24(29)23-14-18-8-3-4-12-22(18)27-23)21-11-6-10-20(15-21)26-16-17-7-5-9-19(25)13-17/h3-5,7-9,12-14,20-21,26-27H,2,6,10-11,15-16H2,1H3/t20?,21-/m0/s1
InChIKeyWFFSERRWSHEZKW-LBAQZLPGSA-N
MW393.51 g/mol
LogP4.87
Rot. Bonds6

About N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 135171023) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID135171023
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC NameN-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCC(NCc2cccc(F)c2)C1
InChIInChI=1S/C24H28FN3O/c1-2-28(24(29)23-14-18-8-3-4-12-22(18)27-23)21-11-6-10-20(15-21)26-16-17-7-5-9-19(25)13-17/h3-5,7-9,12-14,20-21,26-27H,2,6,10-11,15-16H2,1H3/t20?,21-/m0/s1
InChIKeyWFFSERRWSHEZKW-LBAQZLPGSA-N
XLogP4.87
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[3-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170971
N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171020
N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
CID 155076755
N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 161347630
N-ethyl-N-[(1S,3R)-3-[[4-(methyldiazenyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 170113162
N-ethyl-N-[(1S,3R)-3-[[3-(4-ethynylbenzoyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135156924
N-ethyl-N-[(1S,3R)-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170990
4-[2-[[(1S,3R)-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-ethylcarbamoyl]-1H-indol-6-yl]-N-ethyl-N-[(1S,3R)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 155076899
N-[(1S,3R)-3-[[3-[2-(3-but-3-ynyldiaziridin-3-yl)ethoxy]phenyl]methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 155077096
N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 135171025
N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171015
N-[(3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 155076723

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide (CID 135171023) is N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide is CCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCC(NCc2cccc(F)c2)C1.
What is the InChIKey of N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is WFFSERRWSHEZKW-LBAQZLPGSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-2-28(24(29)23-14-18-8-3-4-12-22(18)27-23)21-11-6-10-20(15-21)26-16-17-7-5-9-19(25)13-17/h3-5,7-9,12-14,20-21,26-27H,2,6,10-11,15-16H2,1H3/t20?,21-/m0/s1.
What are the key properties of N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide?
N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 135171023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).