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

C17H13Cl2FN2O — CID 113083839

IUPAC2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCCc1c[nH]c2cc(Cl)ccc12)c1c(F)cccc1Cl
InChIInChI=1S/C17H13Cl2FN2O/c18-11-4-5-12-10(9-22-15(12)8-11)6-7-21-17(23)16-13(19)2-1-3-14(16)20/h1-5,8-9,22H,6-7H2,(H,21,23)
InChIKeyKGGCRKYPNMUMRJ-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.59
Rot. Bonds4

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

2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide (PubChem CID 113083839) has the molecular formula C17H13Cl2FN2O and a molecular weight of 351.21 g/mol. Its IUPAC name is 2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
PubChem CID113083839
Molecular FormulaC17H13Cl2FN2O
Molecular Weight351.21 g/mol
Exact Mass350.04
IUPAC Name2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCCc1c[nH]c2cc(Cl)ccc12)c1c(F)cccc1Cl
InChIInChI=1S/C17H13Cl2FN2O/c18-11-4-5-12-10(9-22-15(12)8-11)6-7-21-17(23)16-13(19)2-1-3-14(16)20/h1-5,8-9,22H,6-7H2,(H,21,23)
InChIKeyKGGCRKYPNMUMRJ-UHFFFAOYSA-N
XLogP4.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
CID 113206229
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645249
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 113206366
4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 141441300
2-(6-chloro-1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113209743
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide (CID 113083839) is 2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide is O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide?
The InChIKey is KGGCRKYPNMUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O/c18-11-4-5-12-10(9-22-15(12)8-11)6-7-21-17(23)16-13(19)2-1-3-14(16)20/h1-5,8-9,22H,6-7H2,(H,21,23).
What are the key properties of 2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide has a molecular weight of 351.21 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 113083839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).