2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide

C13H16F2N2O — CID 114107072

IUPAC2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(F)c(F)cc2N)CCC1
InChIInChI=1S/C13H16F2N2O/c1-13(3-2-4-13)7-17-12(18)8-5-9(14)10(15)6-11(8)16/h5-6H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyIBOGWGSOANAKQP-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.47
Rot. Bonds3

About 2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide

2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide (PubChem CID 114107072) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide
PubChem CID114107072
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(F)c(F)cc2N)CCC1
InChIInChI=1S/C13H16F2N2O/c1-13(3-2-4-13)7-17-12(18)8-5-9(14)10(15)6-11(8)16/h5-6H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyIBOGWGSOANAKQP-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide 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

2-amino-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821646
4,5-difluoro-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
CID 63820662
2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride
CID 119945728
4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103820345
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162857
4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103722151
5-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 107162875
3-amino-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
CID 115549077
5-amino-2-methyl-N-[(1-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 55259473
4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride
CID 119780555
2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide
CID 65039606

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide (CID 114107072) is 2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide is CC1(CNC(=O)c2cc(F)c(F)cc2N)CCC1.
What is the InChIKey of 2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide?
The InChIKey is IBOGWGSOANAKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-13(3-2-4-13)7-17-12(18)8-5-9(14)10(15)6-11(8)16/h5-6H,2-4,7,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide?
2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide has a molecular weight of 254.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 114107072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).