4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide

C13H7Cl2F2NO2 — CID 82772330

IUPAC4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H7Cl2F2NO2/c14-8-2-1-6(3-12(8)19)18-13(20)7-4-11(17)9(15)5-10(7)16/h1-5,19H,(H,18,20)
InChIKeyDPOWEHOPHJVUQM-UHFFFAOYSA-N
MW318.11 g/mol
LogP4.23
Rot. Bonds2

About 4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide

4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide (PubChem CID 82772330) has the molecular formula C13H7Cl2F2NO2 and a molecular weight of 318.11 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide
PubChem CID82772330
Molecular FormulaC13H7Cl2F2NO2
Molecular Weight318.11 g/mol
Exact Mass316.98
IUPAC Name4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H7Cl2F2NO2/c14-8-2-1-6(3-12(8)19)18-13(20)7-4-11(17)9(15)5-10(7)16/h1-5,19H,(H,18,20)
InChIKeyDPOWEHOPHJVUQM-UHFFFAOYSA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
4-chloro-2,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 82771176
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277
N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide
CID 82773116
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide
CID 82771926
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516
N-(4-chloro-3-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 60795096
3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
CID 107953628
N-(4-chloro-3-hydroxyphenyl)-2,4-dimethylbenzamide
CID 64788271

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide?
The IUPAC name of 4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide (CID 82772330) is 4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide?
The canonical SMILES for 4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide is O=C(Nc1ccc(Cl)c(O)c1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide?
The InChIKey is DPOWEHOPHJVUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2NO2/c14-8-2-1-6(3-12(8)19)18-13(20)7-4-11(17)9(15)5-10(7)16/h1-5,19H,(H,18,20).
What are the key properties of 4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide?
4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide has a molecular weight of 318.11 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 82772330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).