5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide

C14H21FN2O — CID 103296542

IUPAC5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCC(C)C(C)C)c1F
InChIInChI=1S/C14H21FN2O/c1-8(2)10(4)7-17-14(18)12-6-11(16)5-9(3)13(12)15/h5-6,8,10H,7,16H2,1-4H3,(H,17,18)
InChIKeyQRLJUPXJMKOSBM-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.74
Rot. Bonds4

About 5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide

5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide (PubChem CID 103296542) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
PubChem CID103296542
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCC(C)C(C)C)c1F
InChIInChI=1S/C14H21FN2O/c1-8(2)10(4)7-17-14(18)12-6-11(16)5-9(3)13(12)15/h5-6,8,10H,7,16H2,1-4H3,(H,17,18)
InChIKeyQRLJUPXJMKOSBM-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide 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-2-fluoro-3-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 103296755
5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782
3,5-diamino-N-(2,3-dimethylbutyl)benzamide
CID 64570999
5-amino-N-but-3-enyl-2-fluoro-3-methylbenzamide
CID 103296822
5-amino-N-(4-amino-4-oxobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 103296858
5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide
CID 64568794
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353
5-amino-2-fluoro-3-methyl-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 103296656
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-amino-2-fluoro-3-methylbenzoate
CID 103297907
5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide
CID 106152505
tert-butyl N-[3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propyl]carbamate
CID 103296906
5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 103296222

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide (CID 103296542) is 5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)NCC(C)C(C)C)c1F.
What is the InChIKey of 5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide?
The InChIKey is QRLJUPXJMKOSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-8(2)10(4)7-17-14(18)12-6-11(16)5-9(3)13(12)15/h5-6,8,10H,7,16H2,1-4H3,(H,17,18).
What are the key properties of 5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide?
5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide has a molecular weight of 252.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).