2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide

C18H16ClFN2O — CID 113083988

IUPAC2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H16ClFN2O/c1-22(18(23)17-14(19)6-4-7-15(17)20)10-9-12-11-21-16-8-3-2-5-13(12)16/h2-8,11,21H,9-10H2,1H3
InChIKeyGOZLXPXDQRGQQA-UHFFFAOYSA-N
MW330.79 g/mol
LogP4.28
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide

2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide (PubChem CID 113083988) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide
PubChem CID113083988
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide
SMILESCN(CCc1c[nH]c2ccccc12)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H16ClFN2O/c1-22(18(23)17-14(19)6-4-7-15(17)20)10-9-12-11-21-16-8-3-2-5-13(12)16/h2-8,11,21H,9-10H2,1H3
InChIKeyGOZLXPXDQRGQQA-UHFFFAOYSA-N
XLogP4.28
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 11493048
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076
1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
CID 110749017
2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645249
2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
CID 113083839
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide
CID 44587808
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 1057301
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide (CID 113083988) is 2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide is CN(CCc1c[nH]c2ccccc12)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide?
The InChIKey is GOZLXPXDQRGQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c1-22(18(23)17-14(19)6-4-7-15(17)20)10-9-12-11-21-16-8-3-2-5-13(12)16/h2-8,11,21H,9-10H2,1H3.
What are the key properties of 2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide?
2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide has a molecular weight of 330.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 113083988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).