3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide

C21H16ClFN2O3 — CID 55888092

IUPAC3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C21H16ClFN2O3/c22-15-7-9-19(10-8-15)28-13-20(26)24-17-5-1-3-14(11-17)21(27)25-18-6-2-4-16(23)12-18/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyOPOGETCBXPWGNC-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.75
Rot. Bonds6

About 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide

3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide (PubChem CID 55888092) has the molecular formula C21H16ClFN2O3 and a molecular weight of 398.82 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
PubChem CID55888092
Molecular FormulaC21H16ClFN2O3
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC Name3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C21H16ClFN2O3/c22-15-7-9-19(10-8-15)28-13-20(26)24-17-5-1-3-14(11-17)21(27)25-18-6-2-4-16(23)12-18/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyOPOGETCBXPWGNC-UHFFFAOYSA-N
XLogP4.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158844
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126393495
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158805
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide
CID 170896491
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 13140655
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4674584
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
CID 8612122

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide (CID 55888092) is 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide is O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide?
The InChIKey is OPOGETCBXPWGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O3/c22-15-7-9-19(10-8-15)28-13-20(26)24-17-5-1-3-14(11-17)21(27)25-18-6-2-4-16(23)12-18/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide?
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide has a molecular weight of 398.82 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 55888092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).