2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide

C15H12Cl2FNO3 — CID 111116203

IUPAC2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCO)cc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2FNO3/c16-12-8-13(17)14(18)7-11(12)15(21)19-9-1-3-10(4-2-9)22-6-5-20/h1-4,7-8,20H,5-6H2,(H,19,21)
InChIKeyMBNSQEBTYRGUHR-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.76
Rot. Bonds5

About 2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide

2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide (PubChem CID 111116203) has the molecular formula C15H12Cl2FNO3 and a molecular weight of 344.17 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
PubChem CID111116203
Molecular FormulaC15H12Cl2FNO3
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCO)cc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2FNO3/c16-12-8-13(17)14(18)7-11(12)15(21)19-9-1-3-10(4-2-9)22-6-5-20/h1-4,7-8,20H,5-6H2,(H,19,21)
InChIKeyMBNSQEBTYRGUHR-UHFFFAOYSA-N
XLogP3.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
CID 600447
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116250
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
2-chloro-N-[4-(2-hydroxyethoxy)phenyl]pyridine-3-carboxamide
CID 111113147
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide
CID 111116205
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide
CID 18155447
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide (CID 111116203) is 2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide is O=C(Nc1ccc(OCCO)cc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide?
The InChIKey is MBNSQEBTYRGUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO3/c16-12-8-13(17)14(18)7-11(12)15(21)19-9-1-3-10(4-2-9)22-6-5-20/h1-4,7-8,20H,5-6H2,(H,19,21).
What are the key properties of 2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide?
2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide has a molecular weight of 344.17 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide is sourced from PubChem (CID 111116203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).