4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide

C15H12ClFN2O3 — CID 2559686

IUPAC4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H12ClFN2O3/c16-12-7-11(5-6-13(12)17)22-8-14(20)19-10-3-1-9(2-4-10)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)
InChIKeyBLWFQUDSIXCBOC-UHFFFAOYSA-N
MW322.72 g/mol
LogP2.60
Rot. Bonds5

About 4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide

4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide (PubChem CID 2559686) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is 4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
PubChem CID2559686
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H12ClFN2O3/c16-12-7-11(5-6-13(12)17)22-8-14(20)19-10-3-1-9(2-4-10)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)
InChIKeyBLWFQUDSIXCBOC-UHFFFAOYSA-N
XLogP2.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
CID 8579924
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 134002141
4-[[2-(2,4,6-trichlorophenoxy)acetyl]amino]benzamide
CID 7894268
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 112778728
[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 7881022
4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide
CID 7751173
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide (CID 2559686) is 4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide?
The InChIKey is BLWFQUDSIXCBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c16-12-7-11(5-6-13(12)17)22-8-14(20)19-10-3-1-9(2-4-10)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20).
What are the key properties of 4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide?
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide has a molecular weight of 322.72 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 2559686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).