3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide

C11H13F3N2O — CID 102868880

IUPAC3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(C)C(F)F
InChIInChI=1S/C11H13F3N2O/c1-5-8(12)3-7(11(15)17)4-9(5)16-6(2)10(13)14/h3-4,6,10,16H,1-2H3,(H2,15,17)
InChIKeyAMISSCFCKZYQOT-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.30
Rot. Bonds4

About 3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide

3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide (PubChem CID 102868880) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
PubChem CID102868880
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(C)C(F)F
InChIInChI=1S/C11H13F3N2O/c1-5-8(12)3-7(11(15)17)4-9(5)16-6(2)10(13)14/h3-4,6,10,16H,1-2H3,(H2,15,17)
InChIKeyAMISSCFCKZYQOT-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
3-[[2-(aminomethyl)-3-methylbutyl]amino]-5-fluoro-4-methylbenzamide
CID 107441736
3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide
CID 43789078
3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43735801
3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide
CID 43735773
3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide
CID 43735676
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
3-fluoro-4-methyl-5-(1-piperidin-2-ylpropan-2-ylamino)benzamide
CID 79535920
3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
CID 43713949
3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide
CID 103928965
5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 60940811

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide (CID 102868880) is 3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NC(C)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide?
The InChIKey is AMISSCFCKZYQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-5-8(12)3-7(11(15)17)4-9(5)16-6(2)10(13)14/h3-4,6,10,16H,1-2H3,(H2,15,17).
What are the key properties of 3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide?
3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide has a molecular weight of 246.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 102868880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).