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

C15H12ClF2N3O2 — CID 47077807

IUPAC5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12ClF2N3O2/c16-8-1-4-13(10(5-8)15(19)23)20-7-14(22)21-9-2-3-11(17)12(18)6-9/h1-6,20H,7H2,(H2,19,23)(H,21,22)
InChIKeyIJSNQMYOYYVOMF-UHFFFAOYSA-N
MW339.73 g/mol
LogP2.77
Rot. Bonds5

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

5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide (PubChem CID 47077807) has the molecular formula C15H12ClF2N3O2 and a molecular weight of 339.73 g/mol. Its IUPAC name is 5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide
PubChem CID47077807
Molecular FormulaC15H12ClF2N3O2
Molecular Weight339.73 g/mol
Exact Mass339.06
IUPAC Name5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12ClF2N3O2/c16-8-1-4-13(10(5-8)15(19)23)20-7-14(22)21-9-2-3-11(17)12(18)6-9/h1-6,20H,7H2,(H2,19,23)(H,21,22)
InChIKeyIJSNQMYOYYVOMF-UHFFFAOYSA-N
XLogP2.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide (CID 47077807) is 5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide is NC(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is IJSNQMYOYYVOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3O2/c16-8-1-4-13(10(5-8)15(19)23)20-7-14(22)21-9-2-3-11(17)12(18)6-9/h1-6,20H,7H2,(H2,19,23)(H,21,22).
What are the key properties of 5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide?
5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 339.73 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 47077807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).