N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide

C27H25FN4O2 — CID 46391845

IUPACN-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)N3CCN(c4ccccc4F)CC3)[nH]c3ccccc23)cc1
InChIInChI=1S/C27H25FN4O2/c1-18-10-12-19(13-11-18)26(33)30-24-20-6-2-4-8-22(20)29-25(24)27(34)32-16-14-31(15-17-32)23-9-5-3-7-21(23)28/h2-13,29H,14-17H2,1H3,(H,30,33)
InChIKeyZGXDFEUNFYZJJA-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.83
Rot. Bonds4

About N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide

N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide (PubChem CID 46391845) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide
PubChem CID46391845
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)N3CCN(c4ccccc4F)CC3)[nH]c3ccccc23)cc1
InChIInChI=1S/C27H25FN4O2/c1-18-10-12-19(13-11-18)26(33)30-24-20-6-2-4-8-22(20)29-25(24)27(34)32-16-14-31(15-17-32)23-9-5-3-7-21(23)28/h2-13,29H,14-17H2,1H3,(H,30,33)
InChIKeyZGXDFEUNFYZJJA-UHFFFAOYSA-N
XLogP4.83
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide
CID 46391981
3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
CID 46391982
4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391863
4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide
CID 46391888
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391919
N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391848
4-fluoro-N-[5-methyl-2-(4-methylpiperidine-1-carbonyl)-1H-indol-3-yl]benzamide
CID 46391926
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
(3,4-difluorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013289
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide (CID 46391845) is N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2c(C(=O)N3CCN(c4ccccc4F)CC3)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide?
The InChIKey is ZGXDFEUNFYZJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-18-10-12-19(13-11-18)26(33)30-24-20-6-2-4-8-22(20)29-25(24)27(34)32-16-14-31(15-17-32)23-9-5-3-7-21(23)28/h2-13,29H,14-17H2,1H3,(H,30,33).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide?
N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide has a molecular weight of 456.52 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide is sourced from PubChem (CID 46391845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).