5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide

C14H19FN2O — CID 103296416

IUPAC5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)CC2CCC2)c1F
InChIInChI=1S/C14H19FN2O/c1-9-6-11(16)7-12(13(9)15)14(18)17(2)8-10-4-3-5-10/h6-7,10H,3-5,8,16H2,1-2H3
InChIKeyWNMGQYASJAKZLU-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.59
Rot. Bonds3

About 5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide

5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide (PubChem CID 103296416) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
PubChem CID103296416
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)CC2CCC2)c1F
InChIInChI=1S/C14H19FN2O/c1-9-6-11(16)7-12(13(9)15)14(18)17(2)8-10-4-3-5-10/h6-7,10H,3-5,8,16H2,1-2H3
InChIKeyWNMGQYASJAKZLU-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide 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

5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
CID 103296931
N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65389043
5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 103296058
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide?
The IUPAC name of 5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide (CID 103296416) is 5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide is Cc1cc(N)cc(C(=O)N(C)CC2CCC2)c1F.
What is the InChIKey of 5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide?
The InChIKey is WNMGQYASJAKZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-6-11(16)7-12(13(9)15)14(18)17(2)8-10-4-3-5-10/h6-7,10H,3-5,8,16H2,1-2H3.
What are the key properties of 5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide?
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 103296416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).