2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide

C28H26ClN3O2 — CID 42808853

IUPAC2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
SMILESCc1cccc(Cn2c(C(=O)N3CCCC3)cc3cc(NC(=O)c4ccccc4Cl)ccc32)c1
InChIInChI=1S/C28H26ClN3O2/c1-19-7-6-8-20(15-19)18-32-25-12-11-22(30-27(33)23-9-2-3-10-24(23)29)16-21(25)17-26(32)28(34)31-13-4-5-14-31/h2-3,6-12,15-17H,4-5,13-14,18H2,1H3,(H,30,33)
InChIKeyHDQOODTZCGZYFW-UHFFFAOYSA-N
MW471.99 g/mol
LogP6.14
Rot. Bonds5

About 2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide

2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide (PubChem CID 42808853) has the molecular formula C28H26ClN3O2 and a molecular weight of 471.99 g/mol. Its IUPAC name is 2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
PubChem CID42808853
Molecular FormulaC28H26ClN3O2
Molecular Weight471.99 g/mol
Exact Mass471.17
IUPAC Name2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
SMILESCc1cccc(Cn2c(C(=O)N3CCCC3)cc3cc(NC(=O)c4ccccc4Cl)ccc32)c1
InChIInChI=1S/C28H26ClN3O2/c1-19-7-6-8-20(15-19)18-32-25-12-11-22(30-27(33)23-9-2-3-10-24(23)29)16-21(25)17-26(32)28(34)31-13-4-5-14-31/h2-3,6-12,15-17H,4-5,13-14,18H2,1H3,(H,30,33)
InChIKeyHDQOODTZCGZYFW-UHFFFAOYSA-N
XLogP6.14
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808893
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide
CID 83287207
2-benzylsulfanyl-N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 83282695
N-[1-benzyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-4-tert-butylbenzenesulfonamide
CID 42808775
5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 91635435
4-tert-butyl-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]benzenesulfonamide
CID 83278214
[2-methyl-1-[(3-methylphenyl)methyl]indol-5-yl]-piperidin-1-ylmethanone
CID 129319399
5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
CID 83282724
N-[1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]-2-methylpropanamide
CID 83279781
[2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039491
5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
CID 83284031
N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide
CID 83282691

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide (CID 42808853) is 2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide is Cc1cccc(Cn2c(C(=O)N3CCCC3)cc3cc(NC(=O)c4ccccc4Cl)ccc32)c1.
What is the InChIKey of 2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide?
The InChIKey is HDQOODTZCGZYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O2/c1-19-7-6-8-20(15-19)18-32-25-12-11-22(30-27(33)23-9-2-3-10-24(23)29)16-21(25)17-26(32)28(34)31-13-4-5-14-31/h2-3,6-12,15-17H,4-5,13-14,18H2,1H3,(H,30,33).
What are the key properties of 2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide?
2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide has a molecular weight of 471.99 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide is sourced from PubChem (CID 42808853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).