3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide

C10H11F3N2O — CID 102868551

IUPAC3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)C(F)F
InChIInChI=1S/C10H11F3N2O/c1-5(9(12)13)15-8-4-6(10(14)16)2-3-7(8)11/h2-5,9,15H,1H3,(H2,14,16)
InChIKeyANTPAZLVDXMQES-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.99
Rot. Bonds4

About 3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide

3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide (PubChem CID 102868551) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
PubChem CID102868551
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)C(F)F
InChIInChI=1S/C10H11F3N2O/c1-5(9(12)13)15-8-4-6(10(14)16)2-3-7(8)11/h2-5,9,15H,1H3,(H2,14,16)
InChIKeyANTPAZLVDXMQES-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzoic acid
CID 102868800
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
3-(1,1-difluoropropan-2-ylamino)-5-fluoro-4-methylbenzamide
CID 102868880
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
CID 107441566
4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide
CID 43701049
4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43701200
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
CID 43700812
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide
CID 70906211
3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide
CID 43701132
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide
CID 43783758

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide?
The IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide (CID 102868551) is 3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide.
What is the SMILES notation for 3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide?
The canonical SMILES for 3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide is CC(Nc1cc(C(N)=O)ccc1F)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide?
The InChIKey is ANTPAZLVDXMQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-5(9(12)13)15-8-4-6(10(14)16)2-3-7(8)11/h2-5,9,15H,1H3,(H2,14,16).
What are the key properties of 3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide?
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide has a molecular weight of 232.21 g/mol, XLogP of 1.99, 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)-4-fluorobenzamide is sourced from PubChem (CID 102868551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).