3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide

C18H19Cl2NO3 — CID 25195088

IUPAC3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO3/c19-15-5-3-4-13(10-15)12-24-17-7-6-14(11-16(17)20)18(23)21-8-1-2-9-22/h3-7,10-11,22H,1-2,8-9,12H2,(H,21,23)
InChIKeyBRHJRCGJFSUKGB-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.07
Rot. Bonds8

About 3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide

3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide (PubChem CID 25195088) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide
PubChem CID25195088
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide
SMILESO=C(NCCCCO)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO3/c19-15-5-3-4-13(10-15)12-24-17-7-6-14(11-16(17)20)18(23)21-8-1-2-9-22/h3-7,10-11,22H,1-2,8-9,12H2,(H,21,23)
InChIKeyBRHJRCGJFSUKGB-UHFFFAOYSA-N
XLogP4.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19297491
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 44570985
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126331077
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide
CID 84533270
N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide
CID 3608171

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide?
The IUPAC name of 3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide (CID 25195088) is 3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide.
What is the SMILES notation for 3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide?
The canonical SMILES for 3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide is O=C(NCCCCO)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide?
The InChIKey is BRHJRCGJFSUKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c19-15-5-3-4-13(10-15)12-24-17-7-6-14(11-16(17)20)18(23)21-8-1-2-9-22/h3-7,10-11,22H,1-2,8-9,12H2,(H,21,23).
What are the key properties of 3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide?
3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide has a molecular weight of 368.26 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 25195088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).