3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide

C17H14Cl2N2O — CID 84580794

IUPAC3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc2cc[nH]c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O/c18-14-4-3-13(10-15(14)19)17(22)21-7-5-11-1-2-12-6-8-20-16(12)9-11/h1-4,6,8-10,20H,5,7H2,(H,21,22)
InChIKeyYRCKECVLVMQJGA-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.45
Rot. Bonds4

About 3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide

3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide (PubChem CID 84580794) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide
PubChem CID84580794
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide
SMILESO=C(NCCc1ccc2cc[nH]c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O/c18-14-4-3-13(10-15(14)19)17(22)21-7-5-11-1-2-12-6-8-20-16(12)9-11/h1-4,6,8-10,20H,5,7H2,(H,21,22)
InChIKeyYRCKECVLVMQJGA-UHFFFAOYSA-N
XLogP4.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide
CID 141037783
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide
CID 112529427
N-(2-pyridin-2-ylethyl)-1H-indole-6-carboxamide
CID 22139228
N-[2-(3,4-dichlorophenyl)ethyl]-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzamide
CID 87236586
N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine
CID 144853621
N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 84579799
N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
CID 55028268
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-(3-sulfamoylpropyl)-1H-indole-6-carboxamide
CID 47343118
N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide
CID 155966914

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide (CID 84580794) is 3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide is O=C(NCCc1ccc2cc[nH]c2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide?
The InChIKey is YRCKECVLVMQJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-14-4-3-13(10-15(14)19)17(22)21-7-5-11-1-2-12-6-8-20-16(12)9-11/h1-4,6,8-10,20H,5,7H2,(H,21,22).
What are the key properties of 3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide?
3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide has a molecular weight of 333.22 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide is sourced from PubChem (CID 84580794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).