3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide

C12H14F2N2O — CID 114098972

IUPAC3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCC1(CNC(=O)c2c(F)ccc(N)c2F)CC1
InChIInChI=1S/C12H14F2N2O/c1-12(4-5-12)6-16-11(17)9-7(13)2-3-8(15)10(9)14/h2-3H,4-6,15H2,1H3,(H,16,17)
InChIKeyQPKPAZXSUAUZHM-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.08
Rot. Bonds3

About 3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide

3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide (PubChem CID 114098972) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
PubChem CID114098972
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCC1(CNC(=O)c2c(F)ccc(N)c2F)CC1
InChIInChI=1S/C12H14F2N2O/c1-12(4-5-12)6-16-11(17)9-7(13)2-3-8(15)10(9)14/h2-3H,4-6,15H2,1H3,(H,16,17)
InChIKeyQPKPAZXSUAUZHM-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 79758963
3-amino-2,6-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099123
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide
CID 114107072
3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
CID 79773809
2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103765513
3-amino-N-(cyclohexylmethyl)-2,6-difluorobenzamide
CID 79773789
3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478500
2-amino-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821646
3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79772979

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide (CID 114098972) is 3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide is CC1(CNC(=O)c2c(F)ccc(N)c2F)CC1.
What is the InChIKey of 3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide?
The InChIKey is QPKPAZXSUAUZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-12(4-5-12)6-16-11(17)9-7(13)2-3-8(15)10(9)14/h2-3H,4-6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide?
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide has a molecular weight of 240.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 114098972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).