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

C17H13ClF2N2O — CID 113083843

IUPACN-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
SMILESO=C(NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13ClF2N2O/c18-12-2-3-13-11(9-22-16(13)8-12)5-6-21-17(23)10-1-4-14(19)15(20)7-10/h1-4,7-9,22H,5-6H2,(H,21,23)
InChIKeyWRQZYCDRYARWEW-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.07
Rot. Bonds4

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

N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide (PubChem CID 113083843) has the molecular formula C17H13ClF2N2O and a molecular weight of 334.75 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
PubChem CID113083843
Molecular FormulaC17H13ClF2N2O
Molecular Weight334.75 g/mol
Exact Mass334.07
IUPAC NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
SMILESO=C(NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13ClF2N2O/c18-12-2-3-13-11(9-22-16(13)8-12)5-6-21-17(23)10-1-4-14(19)15(20)7-10/h1-4,7-9,22H,5-6H2,(H,21,23)
InChIKeyWRQZYCDRYARWEW-UHFFFAOYSA-N
XLogP4.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
CID 113083839
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide
CID 67974093
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide (CID 113083843) is N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide is O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide?
The InChIKey is WRQZYCDRYARWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O/c18-12-2-3-13-11(9-22-16(13)8-12)5-6-21-17(23)10-1-4-14(19)15(20)7-10/h1-4,7-9,22H,5-6H2,(H,21,23).
What are the key properties of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide?
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide has a molecular weight of 334.75 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113083843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).