4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C18H17ClN2O — CID 3311967

IUPAC4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O/c1-13-12-15-4-2-3-5-17(15)21(13)11-10-20-18(22)14-6-8-16(19)9-7-14/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyNHJBOSGIKIIDLB-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.03
Rot. Bonds4

About 4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide

4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 3311967) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID3311967
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O/c1-13-12-15-4-2-3-5-17(15)21(13)11-10-20-18(22)14-6-8-16(19)9-7-14/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyNHJBOSGIKIIDLB-UHFFFAOYSA-N
XLogP4.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]-3-nitrobenzamide
CID 4080837
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3288194
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide
CID 90680601
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428
N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide
CID 91625403
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 118484167

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 3311967) is 4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is NHJBOSGIKIIDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-13-12-15-4-2-3-5-17(15)21(13)11-10-20-18(22)14-6-8-16(19)9-7-14/h2-9,12H,10-11H2,1H3,(H,20,22).
What are the key properties of 4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 312.80 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 3311967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).