3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide

C22H18F2N2O3 — CID 55725735

IUPAC3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)Cc2cccc(F)c2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C22H18F2N2O3/c1-29-20-9-8-18(25-21(27)11-14-4-2-6-16(23)10-14)13-19(20)26-22(28)15-5-3-7-17(24)12-15/h2-10,12-13H,11H2,1H3,(H,25,27)(H,26,28)
InChIKeyBALUZKAPBJOYHW-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.41
Rot. Bonds6

About 3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide

3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide (PubChem CID 55725735) has the molecular formula C22H18F2N2O3 and a molecular weight of 396.39 g/mol. Its IUPAC name is 3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
PubChem CID55725735
Molecular FormulaC22H18F2N2O3
Molecular Weight396.39 g/mol
Exact Mass396.13
IUPAC Name3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)Cc2cccc(F)c2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C22H18F2N2O3/c1-29-20-9-8-18(25-21(27)11-14-4-2-6-16(23)10-14)13-19(20)26-22(28)15-5-3-7-17(24)12-15/h2-10,12-13H,11H2,1H3,(H,25,27)(H,26,28)
InChIKeyBALUZKAPBJOYHW-UHFFFAOYSA-N
XLogP4.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725477
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
N-(3-benzyl-4-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 24571190
N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725621
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide
CID 46477710
2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 112827439

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide?
The IUPAC name of 3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide (CID 55725735) is 3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide is COc1ccc(NC(=O)Cc2cccc(F)c2)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide?
The InChIKey is BALUZKAPBJOYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O3/c1-29-20-9-8-18(25-21(27)11-14-4-2-6-16(23)10-14)13-19(20)26-22(28)15-5-3-7-17(24)12-15/h2-10,12-13H,11H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide?
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide has a molecular weight of 396.39 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 55725735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).