2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide

C21H16Cl3NO — CID 86716295

IUPAC2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide
SMILESO=C(NCC(c1ccccc1)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H16Cl3NO/c22-16-11-9-15(10-12-16)18(14-5-2-1-3-6-14)13-25-21(26)17-7-4-8-19(23)20(17)24/h1-12,18H,13H2,(H,25,26)
InChIKeySMCKEZRORVPHFF-UHFFFAOYSA-N
MW404.72 g/mol
LogP6.21
Rot. Bonds5

About 2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide

2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide (PubChem CID 86716295) has the molecular formula C21H16Cl3NO and a molecular weight of 404.72 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide
PubChem CID86716295
Molecular FormulaC21H16Cl3NO
Molecular Weight404.72 g/mol
Exact Mass403.03
IUPAC Name2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide
SMILESO=C(NCC(c1ccccc1)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H16Cl3NO/c22-16-11-9-15(10-12-16)18(14-5-2-1-3-6-14)13-25-21(26)17-7-4-8-19(23)20(17)24/h1-12,18H,13H2,(H,25,26)
InChIKeySMCKEZRORVPHFF-UHFFFAOYSA-N
XLogP6.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.72
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Saredutant
CID 104974
2-Chloro-N-phenethyl-benzamide
CID 692233
4-Chloro-N-phenethylbenzamide
CID 306479
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
N-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 9850582
2,3-dichloro-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide
CID 57557353
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
N-(1-adamantylmethyl)-2,3-dichlorobenzamide
CID 8923923
3,4-dichloro-N-propylbenzamide
CID 346715

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide (CID 86716295) is 2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide is O=C(NCC(c1ccccc1)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide?
The InChIKey is SMCKEZRORVPHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3NO/c22-16-11-9-15(10-12-16)18(14-5-2-1-3-6-14)13-25-21(26)17-7-4-8-19(23)20(17)24/h1-12,18H,13H2,(H,25,26).
What are the key properties of 2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide?
2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide has a molecular weight of 404.72 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(4-chlorophenyl)-2-phenylethyl]benzamide is sourced from PubChem (CID 86716295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).