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

C25H22ClFN2O — CID 67974639

IUPACN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide
SMILESCn1cc(CCNC(=O)c2ccc(Cc3cccc(F)c3)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C25H22ClFN2O/c1-29-16-20(23-15-21(26)9-10-24(23)29)11-12-28-25(30)19-7-5-17(6-8-19)13-18-3-2-4-22(27)14-18/h2-10,14-16H,11-13H2,1H3,(H,28,30)
InChIKeyOSPWIPAWSQXBRG-UHFFFAOYSA-N
MW420.92 g/mol
LogP5.53
Rot. Bonds6

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

N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide (PubChem CID 67974639) has the molecular formula C25H22ClFN2O and a molecular weight of 420.92 g/mol. Its IUPAC name is N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide
PubChem CID67974639
Molecular FormulaC25H22ClFN2O
Molecular Weight420.92 g/mol
Exact Mass420.14
IUPAC NameN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide
SMILESCn1cc(CCNC(=O)c2ccc(Cc3cccc(F)c3)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C25H22ClFN2O/c1-29-16-20(23-15-21(26)9-10-24(23)29)11-12-28-25(30)19-7-5-17(6-8-19)13-18-3-2-4-22(27)14-18/h2-10,14-16H,11-13H2,1H3,(H,28,30)
InChIKeyOSPWIPAWSQXBRG-UHFFFAOYSA-N
XLogP5.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5327670

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide (CID 67974639) is N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide is Cn1cc(CCNC(=O)c2ccc(Cc3cccc(F)c3)cc2)c2cc(Cl)ccc21.
What is the InChIKey of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is OSPWIPAWSQXBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN2O/c1-29-16-20(23-15-21(26)9-10-24(23)29)11-12-28-25(30)19-7-5-17(6-8-19)13-18-3-2-4-22(27)14-18/h2-10,14-16H,11-13H2,1H3,(H,28,30).
What are the key properties of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide?
N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 420.92 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 67974639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).