3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide

C15H12F2N2O2 — CID 86992287

IUPAC3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C15H12F2N2O2/c1-8-12(17)6-10(14(18)20)7-13(8)19-15(21)9-3-2-4-11(16)5-9/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyMFWXNAZRCLTHBK-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.62
Rot. Bonds3

About 3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide

3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide (PubChem CID 86992287) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
PubChem CID86992287
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C15H12F2N2O2/c1-8-12(17)6-10(14(18)20)7-13(8)19-15(21)9-3-2-4-11(16)5-9/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyMFWXNAZRCLTHBK-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide
CID 60786943
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
N-(2-acetamidophenyl)-3-fluorobenzamide
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3-[(4-ethoxy-3-methoxybenzoyl)amino]-5-fluoro-4-methylbenzamide
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3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 78881332
5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide
CID 47244153
N-(5-carbamoyl-2-methoxyphenyl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55882314
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
3-fluoro-N-(2-hydroxyphenyl)benzamide
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CID 99817029

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide?
The IUPAC name of 3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide (CID 86992287) is 3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide?
The InChIKey is MFWXNAZRCLTHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c1-8-12(17)6-10(14(18)20)7-13(8)19-15(21)9-3-2-4-11(16)5-9/h2-7H,1H3,(H2,18,20)(H,19,21).
What are the key properties of 3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide?
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide has a molecular weight of 290.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide is sourced from PubChem (CID 86992287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).