2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C18H16Cl2FN3O3 — CID 2604241

IUPAC2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2FN3O3/c1-10-2-4-12(21)7-15(10)24-17(26)9-22-16(25)8-23-18(27)13-5-3-11(19)6-14(13)20/h2-7H,8-9H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyGYKIVHBPRSJPBM-UHFFFAOYSA-N
MW412.25 g/mol
LogP2.93
Rot. Bonds6

About 2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 2604241) has the molecular formula C18H16Cl2FN3O3 and a molecular weight of 412.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID2604241
Molecular FormulaC18H16Cl2FN3O3
Molecular Weight412.25 g/mol
Exact Mass411.06
IUPAC Name2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(F)cc1NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2FN3O3/c1-10-2-4-12(21)7-15(10)24-17(26)9-22-16(25)8-23-18(27)13-5-3-11(19)6-14(13)20/h2-7H,8-9H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyGYKIVHBPRSJPBM-UHFFFAOYSA-N
XLogP2.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 17492032
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533895
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846
2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 31265818
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001259
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
2,4-dichloro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 24637845
4-bromo-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211763

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 2604241) is 2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is Cc1ccc(F)cc1NC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is GYKIVHBPRSJPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FN3O3/c1-10-2-4-12(21)7-15(10)24-17(26)9-22-16(25)8-23-18(27)13-5-3-11(19)6-14(13)20/h2-7H,8-9H2,1H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 412.25 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 2604241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).