6-chloro-N-ethyl-1H-indole-2-carboxamide

C11H11ClN2O — CID 47172452

IUPAC6-chloro-N-ethyl-1H-indole-2-carboxamide
SMILESCCNC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H11ClN2O/c1-2-13-11(15)10-5-7-3-4-8(12)6-9(7)14-10/h3-6,14H,2H2,1H3,(H,13,15)
InChIKeyCEJGFKVBCGMVRY-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.57
Rot. Bonds2

About 6-chloro-N-ethyl-1H-indole-2-carboxamide

6-chloro-N-ethyl-1H-indole-2-carboxamide (PubChem CID 47172452) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 6-chloro-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-1H-indole-2-carboxamide
PubChem CID47172452
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name6-chloro-N-ethyl-1H-indole-2-carboxamide
SMILESCCNC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H11ClN2O/c1-2-13-11(15)10-5-7-3-4-8(12)6-9(7)14-10/h3-6,14H,2H2,1H3,(H,13,15)
InChIKeyCEJGFKVBCGMVRY-UHFFFAOYSA-N
XLogP2.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
CID 75417841
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide
CID 166262127
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
6,7-dichloro-N-ethyl-1H-indole-2-carboxamide
CID 167229816
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207545
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388491
N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
CID 47169296
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166373419

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-ethyl-1H-indole-2-carboxamide (CID 47172452) is 6-chloro-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-ethyl-1H-indole-2-carboxamide is CCNC(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is CEJGFKVBCGMVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-13-11(15)10-5-7-3-4-8(12)6-9(7)14-10/h3-6,14H,2H2,1H3,(H,13,15).
What are the key properties of 6-chloro-N-ethyl-1H-indole-2-carboxamide?
6-chloro-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 222.67 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 47172452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).