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

C27H25ClN4O2 — CID 46391981

IUPACN-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4ccccc4Cl)CC3)[nH]c3ccccc23)c1
InChIInChI=1S/C27H25ClN4O2/c1-18-7-6-8-19(17-18)26(33)30-24-20-9-2-4-11-22(20)29-25(24)27(34)32-15-13-31(14-16-32)23-12-5-3-10-21(23)28/h2-12,17,29H,13-16H2,1H3,(H,30,33)
InChIKeyQEMAXCHAWWCHGI-UHFFFAOYSA-N
MW472.98 g/mol
LogP5.34
Rot. Bonds4

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

N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide (PubChem CID 46391981) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide
PubChem CID46391981
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC NameN-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4ccccc4Cl)CC3)[nH]c3ccccc23)c1
InChIInChI=1S/C27H25ClN4O2/c1-18-7-6-8-19(17-18)26(33)30-24-20-9-2-4-11-22(20)29-25(24)27(34)32-15-13-31(14-16-32)23-12-5-3-10-21(23)28/h2-12,17,29H,13-16H2,1H3,(H,30,33)
InChIKeyQEMAXCHAWWCHGI-UHFFFAOYSA-N
XLogP5.34
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
CID 46391982
N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-4-methylbenzamide
CID 46391845
N-butan-2-yl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 171141615
4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide
CID 46391888
N-cyclohexyl-3-[(3-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 53013364
4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391863
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080198
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46055736
(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-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide?
The IUPAC name of N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide (CID 46391981) is N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4ccccc4Cl)CC3)[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide?
The InChIKey is QEMAXCHAWWCHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c1-18-7-6-8-19(17-18)26(33)30-24-20-9-2-4-11-22(20)29-25(24)27(34)32-15-13-31(14-16-32)23-12-5-3-10-21(23)28/h2-12,17,29H,13-16H2,1H3,(H,30,33).
What are the key properties of N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide?
N-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide has a molecular weight of 472.98 g/mol, XLogP of 5.34, 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-chlorophenyl)piperazine-1-carbonyl]-1H-indol-3-yl]-3-methylbenzamide is sourced from PubChem (CID 46391981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).