2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide

C24H19Cl2F3N2O2 — CID 71462669

IUPAC2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H19Cl2F3N2O2/c25-19-9-1-15(2-10-19)13-21(32)30-23(17-5-7-18(8-6-17)24(27,28)29)31-22(33)14-16-3-11-20(26)12-4-16/h1-12,23H,13-14H2,(H,30,32)(H,31,33)
InChIKeyWJYJXBAVHNQGLP-UHFFFAOYSA-N
MW495.33 g/mol
LogP5.73
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 71462669) has the molecular formula C24H19Cl2F3N2O2 and a molecular weight of 495.33 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID71462669
Molecular FormulaC24H19Cl2F3N2O2
Molecular Weight495.33 g/mol
Exact Mass494.08
IUPAC Name2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H19Cl2F3N2O2/c25-19-9-1-15(2-10-19)13-21(32)30-23(17-5-7-18(8-6-17)24(27,28)29)31-22(33)14-16-3-11-20(26)12-4-16/h1-12,23H,13-14H2,(H,30,32)(H,31,33)
InChIKeyWJYJXBAVHNQGLP-UHFFFAOYSA-N
XLogP5.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.33
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 71462669) is 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is WJYJXBAVHNQGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F3N2O2/c25-19-9-1-15(2-10-19)13-21(32)30-23(17-5-7-18(8-6-17)24(27,28)29)31-22(33)14-16-3-11-20(26)12-4-16/h1-12,23H,13-14H2,(H,30,32)(H,31,33).
What are the key properties of 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 495.33 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 71462669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).