N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide

C12H17FN2O2 — CID 81483225

IUPACN-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC(C)(C)N
InChIInChI=1S/C12H17FN2O2/c1-12(2,14)7-15-11(16)10-8(13)5-4-6-9(10)17-3/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyXGTHIBAOFSFZND-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.30
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide

N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide (PubChem CID 81483225) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
PubChem CID81483225
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC(C)(C)N
InChIInChI=1S/C12H17FN2O2/c1-12(2,14)7-15-11(16)10-8(13)5-4-6-9(10)17-3/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyXGTHIBAOFSFZND-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide 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

3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
N-(2-amino-2-methylpropyl)-2-(2,6-dimethoxyphenyl)acetamide;hydrochloride
CID 119628885
N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
CID 65434428
N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
CID 107321246
N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide
CID 106357024

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide (CID 81483225) is N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is XGTHIBAOFSFZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-12(2,14)7-15-11(16)10-8(13)5-4-6-9(10)17-3/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide?
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 81483225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).