2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C17H13Cl2F2N3O3 — CID 17492032

IUPAC2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H13Cl2F2N3O3/c18-9-1-2-13(14(19)3-9)17(27)23-7-15(25)22-8-16(26)24-12-5-10(20)4-11(21)6-12/h1-6H,7-8H2,(H,22,25)(H,23,27)(H,24,26)
InChIKeyLQCFWHRNPYYJNA-UHFFFAOYSA-N
MW416.21 g/mol
LogP2.76
Rot. Bonds6

About 2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 17492032) has the molecular formula C17H13Cl2F2N3O3 and a molecular weight of 416.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID17492032
Molecular FormulaC17H13Cl2F2N3O3
Molecular Weight416.21 g/mol
Exact Mass415.03
IUPAC Name2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H13Cl2F2N3O3/c18-9-1-2-13(14(19)3-9)17(27)23-7-15(25)22-8-16(26)24-12-5-10(20)4-11(21)6-12/h1-6H,7-8H2,(H,22,25)(H,23,27)(H,24,26)
InChIKeyLQCFWHRNPYYJNA-UHFFFAOYSA-N
XLogP2.76
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.21
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2604241
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
2,4-dichloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 9047368
2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 31265818
2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959694
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
2,4-dichloro-N-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108765876
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide
CID 55838659

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 17492032) is 2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is LQCFWHRNPYYJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F2N3O3/c18-9-1-2-13(14(19)3-9)17(27)23-7-15(25)22-8-16(26)24-12-5-10(20)4-11(21)6-12/h1-6H,7-8H2,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 416.21 g/mol, XLogP of 2.76, 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-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 17492032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).