4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride

C21H21ClF3N3O — CID 126674071

IUPAC4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1F)c1cn(Cc2ccc(F)cc2)c2cccc(F)c12
InChIInChI=1S/C21H20F3N3O.ClH/c22-14-6-4-13(5-7-14)11-27-12-15(20-16(23)2-1-3-19(20)27)21(28)26-18-8-9-25-10-17(18)24;/h1-7,12,17-18,25H,8-11H2,(H,26,28);1H
InChIKeyJPUWTCOVLAXTBQ-UHFFFAOYSA-N
MW423.87 g/mol
LogP3.82
Rot. Bonds4

About 4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride

4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride (PubChem CID 126674071) has the molecular formula C21H21ClF3N3O and a molecular weight of 423.87 g/mol. Its IUPAC name is 4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride
PubChem CID126674071
Molecular FormulaC21H21ClF3N3O
Molecular Weight423.87 g/mol
Exact Mass423.13
IUPAC Name4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1F)c1cn(Cc2ccc(F)cc2)c2cccc(F)c12
InChIInChI=1S/C21H20F3N3O.ClH/c22-14-6-4-13(5-7-14)11-27-12-15(20-16(23)2-1-3-19(20)27)21(28)26-18-8-9-25-10-17(18)24;/h1-7,12,17-18,25H,8-11H2,(H,26,28);1H
InChIKeyJPUWTCOVLAXTBQ-UHFFFAOYSA-N
XLogP3.82
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.87
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride
CID 135312927
1-[(3,4-difluorophenyl)methyl]-4-fluoro-N-[(3R,4S)-3-fluoropiperidin-4-yl]indole-3-carboxamide
CID 135312849
4-fluoro-N-[(3R,4S)-3-fluoropiperidin-4-yl]-1-[(2-fluoro-4-pyridinyl)methyl]indole-3-carboxamide;hydrochloride
CID 135312824
4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(2-fluoro-4-pyridinyl)methyl]indole-3-carboxamide;hydrochloride
CID 126674049
4-fluoro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-1-[(2-fluoro-4-pyridinyl)methyl]indole-3-carboxamide;hydrochloride
CID 126674105
4-fluoro-N-[(3R,4S)-3-fluoropiperidin-4-yl]-1-[(2-fluoro-4-pyridinyl)methyl]indole-3-carboxamide
CID 135312825
1-(1,3-benzothiazol-6-ylmethyl)-4-fluoro-N-[(3S)-3-fluoropiperidin-4-yl]indole-3-carboxamide
CID 126674029
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836
4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide
CID 144813109
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride?
The IUPAC name of 4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride (CID 126674071) is 4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride is Cl.O=C(NC1CCNCC1F)c1cn(Cc2ccc(F)cc2)c2cccc(F)c12.
What is the InChIKey of 4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride?
The InChIKey is JPUWTCOVLAXTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O.ClH/c22-14-6-4-13(5-7-14)11-27-12-15(20-16(23)2-1-3-19(20)27)21(28)26-18-8-9-25-10-17(18)24;/h1-7,12,17-18,25H,8-11H2,(H,26,28);1H.
What are the key properties of 4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride?
4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride has a molecular weight of 423.87 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 126674071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).