6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide

C20H20ClN3O2 — CID 177140343

IUPAC6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cc3ccc(Cl)cc3n2C)cc1
InChIInChI=1S/C20H20ClN3O2/c1-23(2)20(26)14-6-4-13(5-7-14)12-22-19(25)18-10-15-8-9-16(21)11-17(15)24(18)3/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyNGBXVMXSLCVOPG-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.46
Rot. Bonds4

About 6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide

6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide (PubChem CID 177140343) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
PubChem CID177140343
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cc3ccc(Cl)cc3n2C)cc1
InChIInChI=1S/C20H20ClN3O2/c1-23(2)20(26)14-6-4-13(5-7-14)12-22-19(25)18-10-15-8-9-16(21)11-17(15)24(18)3/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyNGBXVMXSLCVOPG-UHFFFAOYSA-N
XLogP3.46
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide
CID 177139910
N-[(4-carbamoylphenyl)methyl]-5-chloro-1-methyl-6-methylsulfanylindole-2-carboxamide
CID 177140137
3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide
CID 46529777
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide
CID 134039163
4-[(4-chlorophenyl)methylcarbamothioylamino]-N,N-dimethylbenzamide
CID 100589417
6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
CID 99949687
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylindole-2-carboxamide
CID 55910222
4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide
CID 133436485
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
The IUPAC name of 6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide (CID 177140343) is 6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide is CN(C)C(=O)c1ccc(CNC(=O)c2cc3ccc(Cl)cc3n2C)cc1.
What is the InChIKey of 6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
The InChIKey is NGBXVMXSLCVOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-23(2)20(26)14-6-4-13(5-7-14)12-22-19(25)18-10-15-8-9-16(21)11-17(15)24(18)3/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide?
6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 177140343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).