5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide

C24H18Cl2FN3O2 — CID 129094964

IUPAC5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide
SMILESNC(=O)c1c(Cl)c2cc(C(=O)NCc3ccccc3)ccc2n1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C24H18Cl2FN3O2/c25-18-8-6-15(10-19(18)27)13-30-20-9-7-16(11-17(20)21(26)22(30)23(28)31)24(32)29-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,28,31)(H,29,32)
InChIKeySUBDHDYEZWMVCR-UHFFFAOYSA-N
MW470.33 g/mol
LogP5.16
Rot. Bonds6

About 5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide

5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide (PubChem CID 129094964) has the molecular formula C24H18Cl2FN3O2 and a molecular weight of 470.33 g/mol. Its IUPAC name is 5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide
PubChem CID129094964
Molecular FormulaC24H18Cl2FN3O2
Molecular Weight470.33 g/mol
Exact Mass469.08
IUPAC Name5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide
SMILESNC(=O)c1c(Cl)c2cc(C(=O)NCc3ccccc3)ccc2n1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C24H18Cl2FN3O2/c25-18-8-6-15(10-19(18)27)13-30-20-9-7-16(11-17(20)21(26)22(30)23(28)31)24(32)29-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,28,31)(H,29,32)
InChIKeySUBDHDYEZWMVCR-UHFFFAOYSA-N
XLogP5.16
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.33
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
1-[(4-chloro-3-fluorophenyl)methyl]-5-(pyridin-3-ylmethylcarbamoyl)indole-2-carboxylic acid
CID 129094984
N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20876874
N,1-bis[(3-carbamimidoylphenyl)methyl]-3-chloroindole-2-carboxamide
CID 10389462
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide
CID 145364579
3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide (CID 129094964) is 5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide is NC(=O)c1c(Cl)c2cc(C(=O)NCc3ccccc3)ccc2n1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide?
The InChIKey is SUBDHDYEZWMVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O2/c25-18-8-6-15(10-19(18)27)13-30-20-9-7-16(11-17(20)21(26)22(30)23(28)31)24(32)29-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H2,28,31)(H,29,32).
What are the key properties of 5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide?
5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide has a molecular weight of 470.33 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide is sourced from PubChem (CID 129094964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).