5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide

C20H21Cl2N3O — CID 10620409

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C20H21Cl2N3O/c1-24(2)10-9-23-20(26)18-13-25(12-14-3-5-15(21)6-4-14)19-8-7-16(22)11-17(18)19/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,26)
InChIKeyXPXUSAFNPYZGGP-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.29
Rot. Bonds6

About 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide

5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide (PubChem CID 10620409) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide
PubChem CID10620409
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C20H21Cl2N3O/c1-24(2)10-9-23-20(26)18-13-25(12-14-3-5-15(21)6-4-14)19-8-7-16(22)11-17(18)19/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,26)
InChIKeyXPXUSAFNPYZGGP-UHFFFAOYSA-N
XLogP4.29
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide
CID 1486010
1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
CID 166984969
1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212590
6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
1-[(4-chlorophenyl)methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]indole-3-carboxamide
CID 166984640
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
N-[2-(4-chloro-3-fluorophenyl)ethyl]-1-[(4-methylphenyl)methyl]indole-3-carboxamide
CID 166984638
4-(1-benzyl-5-chloroindol-3-yl)-4-hydroxybut-3-en-2-one
CID 74062179
N-(1-bicyclo[2.2.2]octanylmethyl)-5-chloro-1-ethylindole-3-carboxamide
CID 58011443
methyl 1-[(4-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]benzimidazole-5-carboxylate
CID 4915435
1-[5-bromo-1-[(4-chlorophenyl)methyl]indol-3-yl]pentan-1-one
CID 11047765
3-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4597377

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide (CID 10620409) is 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide is CN(C)CCNC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide?
The InChIKey is XPXUSAFNPYZGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c1-24(2)10-9-23-20(26)18-13-25(12-14-3-5-15(21)6-4-14)19-8-7-16(22)11-17(18)19/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,26).
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide?
5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide has a molecular weight of 390.31 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide is sourced from PubChem (CID 10620409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).