4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide

C27H24ClFN4O2 — CID 46391863

IUPAC4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
SMILESCc1ccc2[nH]c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(NC(=O)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C27H24ClFN4O2/c1-17-2-11-23-22(16-17)24(31-26(34)18-3-5-19(28)6-4-18)25(30-23)27(35)33-14-12-32(13-15-33)21-9-7-20(29)8-10-21/h2-11,16,30H,12-15H2,1H3,(H,31,34)
InChIKeyDOYYQTDDEZNPJD-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.48
Rot. Bonds4

About 4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide

4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide (PubChem CID 46391863) has the molecular formula C27H24ClFN4O2 and a molecular weight of 490.97 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
PubChem CID46391863
Molecular FormulaC27H24ClFN4O2
Molecular Weight490.97 g/mol
Exact Mass490.16
IUPAC Name4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
SMILESCc1ccc2[nH]c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(NC(=O)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C27H24ClFN4O2/c1-17-2-11-23-22(16-17)24(31-26(34)18-3-5-19(28)6-4-18)25(30-23)27(35)33-14-12-32(13-15-33)21-9-7-20(29)8-10-21/h2-11,16,30H,12-15H2,1H3,(H,31,34)
InChIKeyDOYYQTDDEZNPJD-UHFFFAOYSA-N
XLogP5.48
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391919
4-fluoro-N-[5-methyl-2-(4-methylpiperidine-1-carbonyl)-1H-indol-3-yl]benzamide
CID 46391926
N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide
CID 46391845
3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide
CID 53367407
3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide
CID 50834469
3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
CID 46391982
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide
CID 46391888
methyl 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate
CID 5173490
(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 100520261
ethyl 4-[4-[(4-chlorobenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984401
5-chloro-3-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 166164206

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide (CID 46391863) is 4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide is Cc1ccc2[nH]c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(NC(=O)c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide?
The InChIKey is DOYYQTDDEZNPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O2/c1-17-2-11-23-22(16-17)24(31-26(34)18-3-5-19(28)6-4-18)25(30-23)27(35)33-14-12-32(13-15-33)21-9-7-20(29)8-10-21/h2-11,16,30H,12-15H2,1H3,(H,31,34).
What are the key properties of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide?
4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide has a molecular weight of 490.97 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide is sourced from PubChem (CID 46391863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).