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

C23H19Cl3N2O2 — CID 71459140

IUPAC2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl3N2O2/c24-18-7-1-15(2-8-18)13-21(29)27-23(17-5-11-20(26)12-6-17)28-22(30)14-16-3-9-19(25)10-4-16/h1-12,23H,13-14H2,(H,27,29)(H,28,30)
InChIKeyNQQRRINIHNBRSU-UHFFFAOYSA-N
MW461.78 g/mol
LogP5.36
Rot. Bonds7

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

2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide (PubChem CID 71459140) has the molecular formula C23H19Cl3N2O2 and a molecular weight of 461.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide
PubChem CID71459140
Molecular FormulaC23H19Cl3N2O2
Molecular Weight461.78 g/mol
Exact Mass460.05
IUPAC Name2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl3N2O2/c24-18-7-1-15(2-8-18)13-21(29)27-23(17-5-11-20(26)12-6-17)28-22(30)14-16-3-9-19(25)10-4-16/h1-12,23H,13-14H2,(H,27,29)(H,28,30)
InChIKeyNQQRRINIHNBRSU-UHFFFAOYSA-N
XLogP5.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 55.36
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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Related Compounds

2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
CID 71459141
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 2305123
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide (CID 71459140) is 2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide?
The InChIKey is NQQRRINIHNBRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3N2O2/c24-18-7-1-15(2-8-18)13-21(29)27-23(17-5-11-20(26)12-6-17)28-22(30)14-16-3-9-19(25)10-4-16/h1-12,23H,13-14H2,(H,27,29)(H,28,30).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide?
2-(4-chlorophenyl)-N-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide has a molecular weight of 461.78 g/mol, XLogP of 5.36, 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-[(4-chlorophenyl)-[[2-(4-chlorophenyl)acetyl]amino]methyl]acetamide is sourced from PubChem (CID 71459140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).