N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide

C27H24ClFN4O2 — CID 122421179

IUPACN-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide
SMILESO=CN(c1ccc(F)cc1)c1cccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1
InChIInChI=1S/C27H24ClFN4O2/c28-21-4-9-25-20(15-21)16-26(30-25)27(35)32-12-10-31(11-13-32)17-19-2-1-3-24(14-19)33(18-34)23-7-5-22(29)6-8-23/h1-9,14-16,18,30H,10-13,17H2
InChIKeyFEEFHSGNNMQSKP-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.21
Rot. Bonds6

About N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide

N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide (PubChem CID 122421179) has the molecular formula C27H24ClFN4O2 and a molecular weight of 490.97 g/mol. Its IUPAC name is N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide.

Molecular Properties

Compound NameN-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide
PubChem CID122421179
Molecular FormulaC27H24ClFN4O2
Molecular Weight490.97 g/mol
Exact Mass490.16
IUPAC NameN-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide
SMILESO=CN(c1ccc(F)cc1)c1cccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1
InChIInChI=1S/C27H24ClFN4O2/c28-21-4-9-25-20(15-21)16-26(30-25)27(35)32-12-10-31(11-13-32)17-19-2-1-3-24(14-19)33(18-34)23-7-5-22(29)6-8-23/h1-9,14-16,18,30H,10-13,17H2
InChIKeyFEEFHSGNNMQSKP-UHFFFAOYSA-N
XLogP5.21
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide with MolForge

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Related Compounds

(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434958
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
[4-(5-chloro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850390
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 39586413
2-[2-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913336
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
(5-chloro-1H-indol-2-yl)-[7-[[4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 138403807
(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46556347
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide?
The IUPAC name of N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide (CID 122421179) is N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide.
What is the SMILES notation for N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide?
The canonical SMILES for N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide is O=CN(c1ccc(F)cc1)c1cccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.
What is the InChIKey of N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide?
The InChIKey is FEEFHSGNNMQSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O2/c28-21-4-9-25-20(15-21)16-26(30-25)27(35)32-12-10-31(11-13-32)17-19-2-1-3-24(14-19)33(18-34)23-7-5-22(29)6-8-23/h1-9,14-16,18,30H,10-13,17H2.
What are the key properties of N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide?
N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide has a molecular weight of 490.97 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide is sourced from PubChem (CID 122421179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).