N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide

C24H19ClF2N2O — CID 67974093

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)c(F)c1
InChIInChI=1S/C24H19ClF2N2O/c25-19-6-7-23-21(13-19)18(14-29-23)8-9-28-24(30)17-5-4-16(22(27)12-17)10-15-2-1-3-20(26)11-15/h1-7,11-14,29H,8-10H2,(H,28,30)
InChIKeyYIMNHRRYAINJTD-UHFFFAOYSA-N
MW424.88 g/mol
LogP5.66
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide (PubChem CID 67974093) has the molecular formula C24H19ClF2N2O and a molecular weight of 424.88 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide
PubChem CID67974093
Molecular FormulaC24H19ClF2N2O
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)c(F)c1
InChIInChI=1S/C24H19ClF2N2O/c25-19-6-7-23-21(13-19)18(14-29-23)8-9-28-24(30)17-5-4-16(22(27)12-17)10-15-2-1-3-20(26)11-15/h1-7,11-14,29H,8-10H2,(H,28,30)
InChIKeyYIMNHRRYAINJTD-UHFFFAOYSA-N
XLogP5.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.88
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
CID 67974203
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-cyanophenyl)methyl]benzamide
CID 67974504
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide
CID 86699433
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide (CID 67974093) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)c(F)c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is YIMNHRRYAINJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N2O/c25-19-6-7-23-21(13-19)18(14-29-23)8-9-28-24(30)17-5-4-16(22(27)12-17)10-15-2-1-3-20(26)11-15/h1-7,11-14,29H,8-10H2,(H,28,30).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 424.88 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 67974093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).