N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide

C22H18ClFN2O3 — CID 7492272

IUPACN-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H18ClFN2O3/c23-19-12-17(9-10-20(19)24)26-21(27)14-29-18-8-4-7-16(11-18)22(28)25-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,25,28)(H,26,27)
InChIKeyZVYYVKBEEDRYJI-UHFFFAOYSA-N
MW412.85 g/mol
LogP4.43
Rot. Bonds7

About N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide

N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 7492272) has the molecular formula C22H18ClFN2O3 and a molecular weight of 412.85 g/mol. Its IUPAC name is N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID7492272
Molecular FormulaC22H18ClFN2O3
Molecular Weight412.85 g/mol
Exact Mass412.10
IUPAC NameN-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H18ClFN2O3/c23-19-12-17(9-10-20(19)24)26-21(27)14-29-18-8-4-7-16(11-18)22(28)25-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,25,28)(H,26,27)
InChIKeyZVYYVKBEEDRYJI-UHFFFAOYSA-N
XLogP4.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 9253189
2-[3-(aminomethyl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
CID 106485098
N-benzyl-3-[2-(4-butylanilino)-2-oxoethoxy]benzamide
CID 7492302
N-benzyl-3-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28638866
N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 28638799
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylmethoxybenzamide
CID 1258743
N-[3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883909
2-[3-[(3-chloro-4-fluoroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539538
N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide
CID 17202080
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide (CID 7492272) is N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide is O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is ZVYYVKBEEDRYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3/c23-19-12-17(9-10-20(19)24)26-21(27)14-29-18-8-4-7-16(11-18)22(28)25-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,25,28)(H,26,27).
What are the key properties of N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide?
N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 412.85 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 7492272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).