2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile

C15H14F2N2S — CID 107933549

IUPAC2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
SMILESCC(C)C(Nc1ccc(C#N)c(F)c1F)c1cccs1
InChIInChI=1S/C15H14F2N2S/c1-9(2)15(12-4-3-7-20-12)19-11-6-5-10(8-18)13(16)14(11)17/h3-7,9,15,19H,1-2H3
InChIKeyBJFSIBXCNXBLQY-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.71
Rot. Bonds4

About 2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile

2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile (PubChem CID 107933549) has the molecular formula C15H14F2N2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
PubChem CID107933549
Molecular FormulaC15H14F2N2S
Molecular Weight292.35 g/mol
Exact Mass292.08
IUPAC Name2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
SMILESCC(C)C(Nc1ccc(C#N)c(F)c1F)c1cccs1
InChIInChI=1S/C15H14F2N2S/c1-9(2)15(12-4-3-7-20-12)19-11-6-5-10(8-18)13(16)14(11)17/h3-7,9,15,19H,1-2H3
InChIKeyBJFSIBXCNXBLQY-UHFFFAOYSA-N
XLogP4.71
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 107927221
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
3-fluoro-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 102815767
2-bromo-3-fluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzoic acid
CID 107540046
4-(3-ethylpentan-2-ylamino)-2,3-difluorobenzonitrile
CID 107933841
2,3-difluoro-4-(1-methylsulfinylpropan-2-ylamino)benzonitrile
CID 114017763
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348
3-(4-cyano-2,3-difluoroanilino)butanamide
CID 107934186
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43762497
2,3-difluoro-4-(1-methylsulfonylpropan-2-ylamino)benzonitrile
CID 107933888
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The IUPAC name of 2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile (CID 107933549) is 2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The canonical SMILES for 2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile is CC(C)C(Nc1ccc(C#N)c(F)c1F)c1cccs1.
What is the InChIKey of 2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
The InChIKey is BJFSIBXCNXBLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2S/c1-9(2)15(12-4-3-7-20-12)19-11-6-5-10(8-18)13(16)14(11)17/h3-7,9,15,19H,1-2H3.
What are the key properties of 2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile?
2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile has a molecular weight of 292.35 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile is sourced from PubChem (CID 107933549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).