3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide

C21H17Cl2NO — CID 86048215

IUPAC3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H17Cl2NO/c22-18-10-5-11-19(23)20(18)16-8-4-9-17(14-16)21(25)24-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,24,25)
InChIKeyBWINTCPJQNIOFQ-UHFFFAOYSA-N
MW370.28 g/mol
LogP5.63
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide

3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide (PubChem CID 86048215) has the molecular formula C21H17Cl2NO and a molecular weight of 370.28 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
PubChem CID86048215
Molecular FormulaC21H17Cl2NO
Molecular Weight370.28 g/mol
Exact Mass369.07
IUPAC Name3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H17Cl2NO/c22-18-10-5-11-19(23)20(18)16-8-4-9-17(14-16)21(25)24-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,24,25)
InChIKeyBWINTCPJQNIOFQ-UHFFFAOYSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.28
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973301
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 90040181
3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 134800698
N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide
CID 154832803

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide (CID 86048215) is 3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cccc(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide?
The InChIKey is BWINTCPJQNIOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO/c22-18-10-5-11-19(23)20(18)16-8-4-9-17(14-16)21(25)24-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,24,25).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide?
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide has a molecular weight of 370.28 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 86048215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).