2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide

C16H14Cl2FNO2 — CID 52706556

IUPAC2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccccc1OCCNC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2FNO2/c1-10-4-2-3-5-15(10)22-7-6-20-16(21)11-8-14(19)13(18)9-12(11)17/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyAYEVESVNLHEHLD-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.25
Rot. Bonds5

About 2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide

2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide (PubChem CID 52706556) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
PubChem CID52706556
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccccc1OCCNC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2FNO2/c1-10-4-2-3-5-15(10)22-7-6-20-16(21)11-8-14(19)13(18)9-12(11)17/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyAYEVESVNLHEHLD-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 3107152
2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541813
N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545
5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42571761
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101243
N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500099
2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
CID 2227968
4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531985
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102932
2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 55386908
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide (CID 52706556) is 2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide is Cc1ccccc1OCCNC(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide?
The InChIKey is AYEVESVNLHEHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c1-10-4-2-3-5-15(10)22-7-6-20-16(21)11-8-14(19)13(18)9-12(11)17/h2-5,8-9H,6-7H2,1H3,(H,20,21).
What are the key properties of 2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide?
2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide has a molecular weight of 342.20 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 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-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 52706556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).