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

C16H14Cl3NO2 — CID 110291543

IUPAC2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl3NO2/c1-16(22,10-2-4-11(17)5-3-10)9-20-15(21)13-7-6-12(18)8-14(13)19/h2-8,22H,9H2,1H3,(H,20,21)
InChIKeyQYKJOZBJFSBFFO-UHFFFAOYSA-N
MW358.65 g/mol
LogP4.28
Rot. Bonds4

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

2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide (PubChem CID 110291543) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
PubChem CID110291543
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC Name2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl3NO2/c1-16(22,10-2-4-11(17)5-3-10)9-20-15(21)13-7-6-12(18)8-14(13)19/h2-8,22H,9H2,1H3,(H,20,21)
InChIKeyQYKJOZBJFSBFFO-UHFFFAOYSA-N
XLogP4.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
CID 111335197
2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115429513
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-nitrobenzamide
CID 111334974
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
CID 111483370
2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496955
2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599532

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide (CID 110291543) is 2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide is CC(O)(CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide?
The InChIKey is QYKJOZBJFSBFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c1-16(22,10-2-4-11(17)5-3-10)9-20-15(21)13-7-6-12(18)8-14(13)19/h2-8,22H,9H2,1H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide?
2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide has a molecular weight of 358.65 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 110291543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).