N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide

C21H23F2N3O3 — CID 24681937

IUPACN-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide
SMILESCc1cccc(NC(=O)CNC(=O)CCCNC(=O)c2ccc(F)cc2F)c1C
InChIInChI=1S/C21H23F2N3O3/c1-13-5-3-6-18(14(13)2)26-20(28)12-25-19(27)7-4-10-24-21(29)16-9-8-15(22)11-17(16)23/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyXXUHGFVJUQRSOY-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.85
Rot. Bonds8

About N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide

N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide (PubChem CID 24681937) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide
PubChem CID24681937
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC NameN-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide
SMILESCc1cccc(NC(=O)CNC(=O)CCCNC(=O)c2ccc(F)cc2F)c1C
InChIInChI=1S/C21H23F2N3O3/c1-13-5-3-6-18(14(13)2)26-20(28)12-25-19(27)7-4-10-24-21(29)16-9-8-15(22)11-17(16)23/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyXXUHGFVJUQRSOY-UHFFFAOYSA-N
XLogP2.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide
CID 24681848
2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
CID 38692816
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51931567
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
N-[4-[5-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 46467552

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide (CID 24681937) is N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide is Cc1cccc(NC(=O)CNC(=O)CCCNC(=O)c2ccc(F)cc2F)c1C.
What is the InChIKey of N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide?
The InChIKey is XXUHGFVJUQRSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-13-5-3-6-18(14(13)2)26-20(28)12-25-19(27)7-4-10-24-21(29)16-9-8-15(22)11-17(16)23/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide?
N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide has a molecular weight of 403.43 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide is sourced from PubChem (CID 24681937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).