3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide

C16H15Cl2NO2 — CID 86972888

IUPAC3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide
SMILESO=C(NCCCc1ccc(O)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H15Cl2NO2/c17-13-8-12(9-14(18)10-13)16(21)19-7-1-2-11-3-5-15(20)6-4-11/h3-6,8-10,20H,1-2,7H2,(H,19,21)
InChIKeyHEPQTHXIEPQZDZ-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.06
Rot. Bonds5

About 3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide

3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide (PubChem CID 86972888) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide
PubChem CID86972888
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide
SMILESO=C(NCCCc1ccc(O)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H15Cl2NO2/c17-13-8-12(9-14(18)10-13)16(21)19-7-1-2-11-3-5-15(20)6-4-11/h3-6,8-10,20H,1-2,7H2,(H,19,21)
InChIKeyHEPQTHXIEPQZDZ-UHFFFAOYSA-N
XLogP4.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 61237115
N-(5-bromopentyl)-3,5-dichlorobenzamide
CID 107322072
N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
CID 86972966
4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide
CID 110618107
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
3,5-dichloro-N-propylbenzamide
CID 2767298
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
CID 103738158
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867
4-bromo-3-(dimethylsulfamoyl)-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86974402
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57009467
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide (CID 86972888) is 3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide is O=C(NCCCc1ccc(O)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide?
The InChIKey is HEPQTHXIEPQZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c17-13-8-12(9-14(18)10-13)16(21)19-7-1-2-11-3-5-15(20)6-4-11/h3-6,8-10,20H,1-2,7H2,(H,19,21).
What are the key properties of 3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide?
3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide has a molecular weight of 324.21 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide is sourced from PubChem (CID 86972888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).