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

C14H13F2N3O — CID 63357203

IUPAC4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Nc2c(F)cccc2F)c1
InChIInChI=1S/C14H13F2N3O/c1-18-14(20)8-5-6-11(17)12(7-8)19-13-9(15)3-2-4-10(13)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyADQOCXUYFFMDKG-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.65
Rot. Bonds3

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

4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide (PubChem CID 63357203) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide
PubChem CID63357203
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Nc2c(F)cccc2F)c1
InChIInChI=1S/C14H13F2N3O/c1-18-14(20)8-5-6-11(17)12(7-8)19-13-9(15)3-2-4-10(13)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyADQOCXUYFFMDKG-UHFFFAOYSA-N
XLogP2.65
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.65
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-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide
CID 65468692
4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide
CID 103584458
4-amino-3-(4-bromo-3-fluoroanilino)-N-methylbenzamide
CID 65436066
3-amino-4-(2,3-difluoroanilino)-N-methylbenzamide
CID 82988443
4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357263
4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide
CID 107634125
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide
CID 82988504
4-amino-3-(5-cyano-2-methylanilino)-N-methylbenzamide
CID 63357613
4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide
CID 113471567
4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
CID 63357345

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide (CID 63357203) is 4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide is CNC(=O)c1ccc(N)c(Nc2c(F)cccc2F)c1.
What is the InChIKey of 4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide?
The InChIKey is ADQOCXUYFFMDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-18-14(20)8-5-6-11(17)12(7-8)19-13-9(15)3-2-4-10(13)16/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide?
4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide has a molecular weight of 277.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide is sourced from PubChem (CID 63357203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).