2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide

C22H19F2N3O3 — CID 9105475

IUPAC2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C22H19F2N3O3/c1-30-16-9-7-15(8-10-16)26-22(29)17-4-2-3-5-19(17)25-13-21(28)27-20-11-6-14(23)12-18(20)24/h2-12,25H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyCKLONKGSTGIDFM-UHFFFAOYSA-N
MW411.41 g/mol
LogP4.28
Rot. Bonds7

About 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide

2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 9105475) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID9105475
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC Name2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C22H19F2N3O3/c1-30-16-9-7-15(8-10-16)26-22(29)17-4-2-3-5-19(17)25-13-21(28)27-20-11-6-14(23)12-18(20)24/h2-12,25H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyCKLONKGSTGIDFM-UHFFFAOYSA-N
XLogP4.28
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105472
2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 25387377
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-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9104019
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
CID 24792559
N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
CID 17398533

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide (CID 9105475) is 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is CKLONKGSTGIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c1-30-16-9-7-15(8-10-16)26-22(29)17-4-2-3-5-19(17)25-13-21(28)27-20-11-6-14(23)12-18(20)24/h2-12,25H,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 411.41 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 9105475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).