2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide

C22H21ClN2O2 — CID 70187700

IUPAC2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide
SMILESNC(=O)c1ccccc1N(CCc1ccc(Cl)cc1)Cc1ccc(O)cc1
InChIInChI=1S/C22H21ClN2O2/c23-18-9-5-16(6-10-18)13-14-25(15-17-7-11-19(26)12-8-17)21-4-2-1-3-20(21)22(24)27/h1-12,26H,13-15H2,(H2,24,27)
InChIKeyGBZLZLIIBLHJSZ-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.39
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide

2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide (PubChem CID 70187700) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide
PubChem CID70187700
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide
SMILESNC(=O)c1ccccc1N(CCc1ccc(Cl)cc1)Cc1ccc(O)cc1
InChIInChI=1S/C22H21ClN2O2/c23-18-9-5-16(6-10-18)13-14-25(15-17-7-11-19(26)12-8-17)21-4-2-1-3-20(21)22(24)27/h1-12,26H,13-15H2,(H2,24,27)
InChIKeyGBZLZLIIBLHJSZ-UHFFFAOYSA-N
XLogP4.39
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide (CID 70187700) is 2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide is NC(=O)c1ccccc1N(CCc1ccc(Cl)cc1)Cc1ccc(O)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide?
The InChIKey is GBZLZLIIBLHJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-18-9-5-16(6-10-18)13-14-25(15-17-7-11-19(26)12-8-17)21-4-2-1-3-20(21)22(24)27/h1-12,26H,13-15H2,(H2,24,27).
What are the key properties of 2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide?
2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide has a molecular weight of 380.88 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl-[(4-hydroxyphenyl)methyl]amino]benzamide is sourced from PubChem (CID 70187700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).