2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide

C16H14Cl2FNO2 — CID 113102839

IUPAC2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
SMILESCc1ccc(Cl)c(OCCNC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2FNO2/c1-10-5-6-11(17)14(9-10)22-8-7-20-16(21)15-12(18)3-2-4-13(15)19/h2-6,9H,7-8H2,1H3,(H,20,21)
InChIKeyQWBDBXPVSSVDOY-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.25
Rot. Bonds5

About 2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide

2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide (PubChem CID 113102839) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
PubChem CID113102839
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
SMILESCc1ccc(Cl)c(OCCNC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2FNO2/c1-10-5-6-11(17)14(9-10)22-8-7-20-16(21)15-12(18)3-2-4-13(15)19/h2-6,9H,7-8H2,1H3,(H,20,21)
InChIKeyQWBDBXPVSSVDOY-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'}

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Related Compounds

2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101243
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide
CID 113102801
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 113102845
2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30865871
N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide
CID 39952297
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 113102822

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide (CID 113102839) is 2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide is Cc1ccc(Cl)c(OCCNC(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide?
The InChIKey is QWBDBXPVSSVDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c1-10-5-6-11(17)14(9-10)22-8-7-20-16(21)15-12(18)3-2-4-13(15)19/h2-6,9H,7-8H2,1H3,(H,20,21).
What are the key properties of 2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide 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-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 113102839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).