5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide

C12H17FN2O2 — CID 64602204

IUPAC5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-8(5-6-17-2)15-12(16)10-7-9(14)3-4-11(10)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyYZLPAKLBYUNUTC-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.56
Rot. Bonds5

About 5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide

5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide (PubChem CID 64602204) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide
PubChem CID64602204
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-8(5-6-17-2)15-12(16)10-7-9(14)3-4-11(10)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyYZLPAKLBYUNUTC-UHFFFAOYSA-N
XLogP1.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-(4-methoxybutan-2-yl)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

5-amino-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93091479
5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65049581
5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
CID 63843251
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-fluorobenzoate
CID 61315810
5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61242019
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
methyl 5-amino-2-(4-methoxybutan-2-ylamino)benzoate
CID 64603091
5-amino-2-(4-methoxybutan-2-ylamino)benzoic acid
CID 64605735
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 61140778
5-amino-2-fluoro-N-hex-1-yn-3-ylbenzamide
CID 106223460
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide (CID 64602204) is 5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide is COCCC(C)NC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide?
The InChIKey is YZLPAKLBYUNUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(5-6-17-2)15-12(16)10-7-9(14)3-4-11(10)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide?
5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide has a molecular weight of 240.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 64602204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).