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

C22H18ClFN2O3 — CID 26158805

IUPAC3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
SMILESCc1cc(OCC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)ccc1Cl
InChIInChI=1S/C22H18ClFN2O3/c1-14-11-19(9-10-20(14)23)29-13-21(27)25-18-4-2-3-15(12-18)22(28)26-17-7-5-16(24)6-8-17/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyADSFIENJTYIFIM-UHFFFAOYSA-N
MW412.85 g/mol
LogP5.06
Rot. Bonds6

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

3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide (PubChem CID 26158805) has the molecular formula C22H18ClFN2O3 and a molecular weight of 412.85 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
PubChem CID26158805
Molecular FormulaC22H18ClFN2O3
Molecular Weight412.85 g/mol
Exact Mass412.10
IUPAC Name3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
SMILESCc1cc(OCC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)ccc1Cl
InChIInChI=1S/C22H18ClFN2O3/c1-14-11-19(9-10-20(14)23)29-13-21(27)25-18-4-2-3-15(12-18)22(28)26-17-7-5-16(24)6-8-17/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyADSFIENJTYIFIM-UHFFFAOYSA-N
XLogP5.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.85
LogP ≤ 55.06
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-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888092
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9196891
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide
CID 1191658
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4674584
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide (CID 26158805) is 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide is Cc1cc(OCC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)ccc1Cl.
What is the InChIKey of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide?
The InChIKey is ADSFIENJTYIFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3/c1-14-11-19(9-10-20(14)23)29-13-21(27)25-18-4-2-3-15(12-18)22(28)26-17-7-5-16(24)6-8-17/h2-12H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide?
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide has a molecular weight of 412.85 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 26158805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).