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

C17H14Cl2N2O — CID 27645249

IUPAC2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O/c18-14-6-3-5-13(16(14)19)17(22)20-9-8-11-10-21-15-7-2-1-4-12(11)15/h1-7,10,21H,8-9H2,(H,20,22)
InChIKeyRQEFTUUUCSIXEN-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.45
Rot. Bonds4

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

2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 27645249) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID27645249
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl2N2O/c18-14-6-3-5-13(16(14)19)17(22)20-9-8-11-10-21-15-7-2-1-4-12(11)15/h1-7,10,21H,8-9H2,(H,20,22)
InChIKeyRQEFTUUUCSIXEN-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'-(2,3-dichlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 3972637
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 118711596
6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 103186743
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 27645249) is 2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is RQEFTUUUCSIXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-14-6-3-5-13(16(14)19)17(22)20-9-8-11-10-21-15-7-2-1-4-12(11)15/h1-7,10,21H,8-9H2,(H,20,22).
What are the key properties of 2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
2,3-dichloro-N-[2-(1H-indol-3-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 2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 27645249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).