N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide

C24H25ClN2O3 — CID 118727129

IUPACN-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1Cl
InChIInChI=1S/C24H25ClN2O3/c1-27(2)12-5-13-30-23-11-10-20(16-22(23)25)26-24(29)19-8-3-6-17(14-19)18-7-4-9-21(28)15-18/h3-4,6-11,14-16,28H,5,12-13H2,1-2H3,(H,26,29)
InChIKeyDLDWJRFVQJTSAO-UHFFFAOYSA-N
MW424.93 g/mol
LogP5.30
Rot. Bonds8

About N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide

N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide (PubChem CID 118727129) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide
PubChem CID118727129
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC NameN-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1Cl
InChIInChI=1S/C24H25ClN2O3/c1-27(2)12-5-13-30-23-11-10-20(16-22(23)25)26-24(29)19-8-3-6-17(14-19)18-7-4-9-21(28)15-18/h3-4,6-11,14-16,28H,5,12-13H2,1-2H3,(H,26,29)
InChIKeyDLDWJRFVQJTSAO-UHFFFAOYSA-N
XLogP5.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide?
The IUPAC name of N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide (CID 118727129) is N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide?
The canonical SMILES for N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide is CN(C)CCCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide?
The InChIKey is DLDWJRFVQJTSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-27(2)12-5-13-30-23-11-10-20(16-22(23)25)26-24(29)19-8-3-6-17(14-19)18-7-4-9-21(28)15-18/h3-4,6-11,14-16,28H,5,12-13H2,1-2H3,(H,26,29).
What are the key properties of N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide?
N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide has a molecular weight of 424.93 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]-3-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 118727129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).