7-chloro-N,N-diethyl-1-methylindole-2-carboxamide

C14H17ClN2O — CID 110855125

IUPAC7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2cccc(Cl)c2n1C
InChIInChI=1S/C14H17ClN2O/c1-4-17(5-2)14(18)12-9-10-7-6-8-11(15)13(10)16(12)3/h6-9H,4-5H2,1-3H3
InChIKeyBDFBBVPJQLRSAR-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.31
Rot. Bonds3

About 7-chloro-N,N-diethyl-1-methylindole-2-carboxamide

7-chloro-N,N-diethyl-1-methylindole-2-carboxamide (PubChem CID 110855125) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 7-chloro-N,N-diethyl-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
PubChem CID110855125
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2cccc(Cl)c2n1C
InChIInChI=1S/C14H17ClN2O/c1-4-17(5-2)14(18)12-9-10-7-6-8-11(15)13(10)16(12)3/h6-9H,4-5H2,1-3H3
InChIKeyBDFBBVPJQLRSAR-UHFFFAOYSA-N
XLogP3.31
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
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7-chloro-1-propylindole-2-carboxylic acid
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8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
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(7-chloro-1-methylindol-2-yl)methanethiol
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7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide
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7-ethyl-1-methylindole-2-carboxylic acid
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5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
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CID 60654004

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-diethyl-1-methylindole-2-carboxamide?
The IUPAC name of 7-chloro-N,N-diethyl-1-methylindole-2-carboxamide (CID 110855125) is 7-chloro-N,N-diethyl-1-methylindole-2-carboxamide.
What is the SMILES notation for 7-chloro-N,N-diethyl-1-methylindole-2-carboxamide?
The canonical SMILES for 7-chloro-N,N-diethyl-1-methylindole-2-carboxamide is CCN(CC)C(=O)c1cc2cccc(Cl)c2n1C.
What is the InChIKey of 7-chloro-N,N-diethyl-1-methylindole-2-carboxamide?
The InChIKey is BDFBBVPJQLRSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-4-17(5-2)14(18)12-9-10-7-6-8-11(15)13(10)16(12)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 7-chloro-N,N-diethyl-1-methylindole-2-carboxamide?
7-chloro-N,N-diethyl-1-methylindole-2-carboxamide has a molecular weight of 264.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-diethyl-1-methylindole-2-carboxamide is sourced from PubChem (CID 110855125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).