4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide

C14H12BrF2N3O — CID 65468692

IUPAC4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Nc2c(F)cc(Br)cc2F)c1
InChIInChI=1S/C14H12BrF2N3O/c1-19-14(21)7-2-3-11(18)12(4-7)20-13-9(16)5-8(15)6-10(13)17/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeyUBVVMDPBZFCAJG-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.41
Rot. Bonds3

About 4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide

4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide (PubChem CID 65468692) has the molecular formula C14H12BrF2N3O and a molecular weight of 356.17 g/mol. Its IUPAC name is 4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide
PubChem CID65468692
Molecular FormulaC14H12BrF2N3O
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC Name4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Nc2c(F)cc(Br)cc2F)c1
InChIInChI=1S/C14H12BrF2N3O/c1-19-14(21)7-2-3-11(18)12(4-7)20-13-9(16)5-8(15)6-10(13)17/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeyUBVVMDPBZFCAJG-UHFFFAOYSA-N
XLogP3.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.41
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-3-fluoroanilino)-N-methylbenzamide
CID 65436066
4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide
CID 103584458
4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide
CID 107634125
4-amino-3-(5-bromo-2-fluoroanilino)-N-ethylbenzamide
CID 63360656
4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide
CID 63357200
4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
CID 63357345
3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide
CID 107634382
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131
4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
CID 116736046
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
4-amino-3-(5-cyano-2-methylanilino)-N-methylbenzamide
CID 63357613

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide (CID 65468692) is 4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide is CNC(=O)c1ccc(N)c(Nc2c(F)cc(Br)cc2F)c1.
What is the InChIKey of 4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide?
The InChIKey is UBVVMDPBZFCAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N3O/c1-19-14(21)7-2-3-11(18)12(4-7)20-13-9(16)5-8(15)6-10(13)17/h2-6,20H,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide?
4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide has a molecular weight of 356.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide is sourced from PubChem (CID 65468692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).