4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide

C14H17ClN2O — CID 110855128

IUPAC4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide
SMILESCCN(CC)C(=O)c1c(C)[nH]c2cccc(Cl)c12
InChIInChI=1S/C14H17ClN2O/c1-4-17(5-2)14(18)12-9(3)16-11-8-6-7-10(15)13(11)12/h6-8,16H,4-5H2,1-3H3
InChIKeyGNXMVCSXAUOINH-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.61
Rot. Bonds3

About 4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide

4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide (PubChem CID 110855128) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide
PubChem CID110855128
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide
SMILESCCN(CC)C(=O)c1c(C)[nH]c2cccc(Cl)c12
InChIInChI=1S/C14H17ClN2O/c1-4-17(5-2)14(18)12-9(3)16-11-8-6-7-10(15)13(11)12/h6-8,16H,4-5H2,1-3H3
InChIKeyGNXMVCSXAUOINH-UHFFFAOYSA-N
XLogP3.61
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-4-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110855129
2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone
CID 53212190
4-chloro-2-methyl-N-prop-2-enyl-1H-indole-3-carboxamide
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N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide
CID 110855138
N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide
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2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
CID 71442782
N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide
CID 115771939
2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide
CID 25180158
2-[(4-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835901
3-chloro-N,N-diethyl-2-hydroxybenzamide
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5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986361
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of 4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide (CID 110855128) is 4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide is CCN(CC)C(=O)c1c(C)[nH]c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide?
The InChIKey is GNXMVCSXAUOINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-4-17(5-2)14(18)12-9(3)16-11-8-6-7-10(15)13(11)12/h6-8,16H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide?
4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide has a molecular weight of 264.76 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110855128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).