2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

C15H20Cl2FNO2 — CID 111662542

IUPAC2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(C)CC(CCO)CNC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2FNO2/c1-9(2)5-10(3-4-20)8-19-15(21)11-6-14(18)13(17)7-12(11)16/h6-7,9-10,20H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyZAAINKXFURBXGW-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.91
Rot. Bonds7

About 2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (PubChem CID 111662542) has the molecular formula C15H20Cl2FNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
PubChem CID111662542
Molecular FormulaC15H20Cl2FNO2
Molecular Weight336.23 g/mol
Exact Mass335.09
IUPAC Name2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(C)CC(CCO)CNC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2FNO2/c1-9(2)5-10(3-4-20)8-19-15(21)11-6-14(18)13(17)7-12(11)16/h6-7,9-10,20H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyZAAINKXFURBXGW-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.91
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

2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111860779
2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111521056
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-5-methylsulfanylbenzamide
CID 111662633
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111697564
N'-(4-chloro-2-fluorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521496

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (CID 111662542) is 2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is CC(C)CC(CCO)CNC(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The InChIKey is ZAAINKXFURBXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2FNO2/c1-9(2)5-10(3-4-20)8-19-15(21)11-6-14(18)13(17)7-12(11)16/h6-7,9-10,20H,3-5,8H2,1-2H3,(H,19,21).
What are the key properties of 2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide has a molecular weight of 336.23 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is sourced from PubChem (CID 111662542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).