5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide

C20H21ClFN3O — CID 118786672

IUPAC5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2)CC1)C1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C20H21ClFN3O/c21-14-1-6-18-13(11-14)12-19(24-18)20(26)23-16-7-9-25(10-8-16)17-4-2-15(22)3-5-17/h1-6,11,16,19,24H,7-10,12H2,(H,23,26)
InChIKeyRXNJFOJLXYYTCI-UHFFFAOYSA-N
MW373.86 g/mol
LogP3.60
Rot. Bonds3

About 5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide

5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 118786672) has the molecular formula C20H21ClFN3O and a molecular weight of 373.86 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID118786672
Molecular FormulaC20H21ClFN3O
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2)CC1)C1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C20H21ClFN3O/c21-14-1-6-18-13(11-14)12-19(24-18)20(26)23-16-7-9-25(10-8-16)17-4-2-15(22)3-5-17/h1-6,11,16,19,24H,7-10,12H2,(H,23,26)
InChIKeyRXNJFOJLXYYTCI-UHFFFAOYSA-N
XLogP3.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 118762258
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 21344957
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086700
N-cyclobutyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086727
(2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide
CID 125166950
5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 118425351
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide
CID 86887457
ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 142661958

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide (CID 118786672) is 5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(NC1CCN(c2ccc(F)cc2)CC1)C1Cc2cc(Cl)ccc2N1.
What is the InChIKey of 5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is RXNJFOJLXYYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O/c21-14-1-6-18-13(11-14)12-19(24-18)20(26)23-16-7-9-25(10-8-16)17-4-2-15(22)3-5-17/h1-6,11,16,19,24H,7-10,12H2,(H,23,26).
What are the key properties of 5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide?
5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 373.86 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 118786672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).