2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide

C22H19F2N3O2 — CID 9104019

IUPAC2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)cc1F
InChIInChI=1S/C22H19F2N3O2/c1-14-6-9-17(12-19(14)24)26-21(28)13-25-20-5-3-2-4-18(20)22(29)27-16-10-7-15(23)8-11-16/h2-12,25H,13H2,1H3,(H,26,28)(H,27,29)
InChIKeyBHOXBQOKZZVXBL-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.58
Rot. Bonds6

About 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide

2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide (PubChem CID 9104019) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
PubChem CID9104019
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)cc1F
InChIInChI=1S/C22H19F2N3O2/c1-14-6-9-17(12-19(14)24)26-21(28)13-25-20-5-3-2-4-18(20)22(29)27-16-10-7-15(23)8-11-16/h2-12,25H,13H2,1H3,(H,26,28)(H,27,29)
InChIKeyBHOXBQOKZZVXBL-UHFFFAOYSA-N
XLogP4.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543586
2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 26438041
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid
CID 71835143
2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9103988
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 9106090
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide
CID 86881942

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide (CID 9104019) is 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide is Cc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)cc1F.
What is the InChIKey of 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide?
The InChIKey is BHOXBQOKZZVXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-14-6-9-17(12-19(14)24)26-21(28)13-25-20-5-3-2-4-18(20)22(29)27-16-10-7-15(23)8-11-16/h2-12,25H,13H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide?
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide has a molecular weight of 395.41 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 9104019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).