5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide

C16H12ClF2NO4 — CID 26961842

IUPAC5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12ClF2NO4/c17-10-3-6-14(12(7-10)15(20)22)23-8-13(21)9-1-4-11(5-2-9)24-16(18)19/h1-7,16H,8H2,(H2,20,22)
InChIKeyATKHATHOLMHNEN-UHFFFAOYSA-N
MW355.72 g/mol
LogP3.30
Rot. Bonds7

About 5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide

5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide (PubChem CID 26961842) has the molecular formula C16H12ClF2NO4 and a molecular weight of 355.72 g/mol. Its IUPAC name is 5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
PubChem CID26961842
Molecular FormulaC16H12ClF2NO4
Molecular Weight355.72 g/mol
Exact Mass355.04
IUPAC Name5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12ClF2NO4/c17-10-3-6-14(12(7-10)15(20)22)23-8-13(21)9-1-4-11(5-2-9)24-16(18)19/h1-7,16H,8H2,(H2,20,22)
InChIKeyATKHATHOLMHNEN-UHFFFAOYSA-N
XLogP3.30
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.72
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 7931593
5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
CID 17497933
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612428
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2389364
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
5-chloro-2-(3-cyanopropoxy)benzamide
CID 45257682
[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327319
5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide
CID 7893862
propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate
CID 55664888
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide
CID 7893883
7-chloro-3-[2-(6-chloro-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473674
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate
CID 2356812

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide (CID 26961842) is 5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide is NC(=O)c1cc(Cl)ccc1OCC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide?
The InChIKey is ATKHATHOLMHNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO4/c17-10-3-6-14(12(7-10)15(20)22)23-8-13(21)9-1-4-11(5-2-9)24-16(18)19/h1-7,16H,8H2,(H2,20,22).
What are the key properties of 5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide?
5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide has a molecular weight of 355.72 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 26961842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).