4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide

C24H24ClFN2O2S — CID 4155861

IUPAC4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClFN2O2S/c1-17(2)28(24(30)19-7-9-20(25)10-8-19)16-23(29)27(15-22-4-3-13-31-22)14-18-5-11-21(26)12-6-18/h3-13,17H,14-16H2,1-2H3
InChIKeyCUBQPRMDFZNQAR-UHFFFAOYSA-N
MW458.99 g/mol
LogP5.62
Rot. Bonds8

About 4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide

4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide (PubChem CID 4155861) has the molecular formula C24H24ClFN2O2S and a molecular weight of 458.99 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
PubChem CID4155861
Molecular FormulaC24H24ClFN2O2S
Molecular Weight458.99 g/mol
Exact Mass458.12
IUPAC Name4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClFN2O2S/c1-17(2)28(24(30)19-7-9-20(25)10-8-19)16-23(29)27(15-22-4-3-13-31-22)14-18-5-11-21(26)12-6-18/h3-13,17H,14-16H2,1-2H3
InChIKeyCUBQPRMDFZNQAR-UHFFFAOYSA-N
XLogP5.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide (CID 4155861) is 4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide is CC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The InChIKey is CUBQPRMDFZNQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O2S/c1-17(2)28(24(30)19-7-9-20(25)10-8-19)16-23(29)27(15-22-4-3-13-31-22)14-18-5-11-21(26)12-6-18/h3-13,17H,14-16H2,1-2H3.
What are the key properties of 4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide has a molecular weight of 458.99 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 4155861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).