2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide

C15H14ClFN2O2 — CID 47027239

IUPAC2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide
SMILESNC(=O)c1ccc(NCCOc2ccccc2F)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-12-9-10(5-6-11(12)15(18)20)19-7-8-21-14-4-2-1-3-13(14)17/h1-6,9,19H,7-8H2,(H2,18,20)
InChIKeyCLJXQYUCNSRIDK-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.07
Rot. Bonds6

About 2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide

2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide (PubChem CID 47027239) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide
PubChem CID47027239
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide
SMILESNC(=O)c1ccc(NCCOc2ccccc2F)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-12-9-10(5-6-11(12)15(18)20)19-7-8-21-14-4-2-1-3-13(14)17/h1-6,9,19H,7-8H2,(H2,18,20)
InChIKeyCLJXQYUCNSRIDK-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide
CID 47068143
4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
CID 55024304
2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 3107152
2-chloro-4-[2-(3-cyanophenoxy)ethylamino]benzamide
CID 71998009
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
4-(4-carbamoyl-3-chloroanilino)butanoic acid
CID 62945162
4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide
CID 63120956
2-[2-(4-carbamothioyl-3-chloroanilino)ethoxy]acetamide
CID 106237332
5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42571761
3-chloro-4-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54797567
2-[2-(2-aminophenoxy)ethylamino]-5-fluorobenzamide
CID 63673977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide?
The IUPAC name of 2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide (CID 47027239) is 2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide?
The canonical SMILES for 2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide is NC(=O)c1ccc(NCCOc2ccccc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide?
The InChIKey is CLJXQYUCNSRIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-12-9-10(5-6-11(12)15(18)20)19-7-8-21-14-4-2-1-3-13(14)17/h1-6,9,19H,7-8H2,(H2,18,20).
What are the key properties of 2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide?
2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide has a molecular weight of 308.74 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide is sourced from PubChem (CID 47027239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).