4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide

C15H15F2N3O — CID 103584458

IUPAC4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Nc2cc(F)c(C)cc2F)c1
InChIInChI=1S/C15H15F2N3O/c1-8-5-11(17)13(7-10(8)16)20-14-6-9(15(21)19-2)3-4-12(14)18/h3-7,20H,18H2,1-2H3,(H,19,21)
InChIKeyIFBZXVSNFJPQNY-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.96
Rot. Bonds3

About 4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide

4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide (PubChem CID 103584458) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide
PubChem CID103584458
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Nc2cc(F)c(C)cc2F)c1
InChIInChI=1S/C15H15F2N3O/c1-8-5-11(17)13(7-10(8)16)20-14-6-9(15(21)19-2)3-4-12(14)18/h3-7,20H,18H2,1-2H3,(H,19,21)
InChIKeyIFBZXVSNFJPQNY-UHFFFAOYSA-N
XLogP2.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide
CID 63357203
4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide
CID 65468692
4-amino-3-(4-bromo-3-fluoroanilino)-N-methylbenzamide
CID 65436066
4-amino-3-(5-cyano-2-methylanilino)-N-methylbenzamide
CID 63357613
4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide
CID 107634125
3-amino-4-(2,3-difluoroanilino)-N-methylbenzamide
CID 82988443
4-(2,5-difluoro-4-methylanilino)benzenecarbothioamide
CID 103586198
4-amino-3-(5-bromo-2-fluoroanilino)-N-ethylbenzamide
CID 63360656
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131
5-amino-4-fluoro-N,2-dimethylbenzamide
CID 130507342
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
ethyl 4-amino-3-(2,5-difluoroanilino)benzoate
CID 82776005

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide (CID 103584458) is 4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide is CNC(=O)c1ccc(N)c(Nc2cc(F)c(C)cc2F)c1.
What is the InChIKey of 4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide?
The InChIKey is IFBZXVSNFJPQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-8-5-11(17)13(7-10(8)16)20-14-6-9(15(21)19-2)3-4-12(14)18/h3-7,20H,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide?
4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide has a molecular weight of 291.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide is sourced from PubChem (CID 103584458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).