3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide

C13H19FN2O — CID 64568397

IUPAC3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide
SMILESCC(C)C(C)CNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H19FN2O/c1-8(2)9(3)7-16-13(17)10-4-5-11(14)12(15)6-10/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyJKIQZMNAHMTUAN-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.43
Rot. Bonds4

About 3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide

3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide (PubChem CID 64568397) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide
PubChem CID64568397
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide
SMILESCC(C)C(C)CNC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H19FN2O/c1-8(2)9(3)7-16-13(17)10-4-5-11(14)12(15)6-10/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyJKIQZMNAHMTUAN-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide
CID 113266416
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
3,5-diamino-N-(2,3-dimethylbutyl)benzamide
CID 64570999
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 43437028
3-amino-N-(2-chloroprop-2-enyl)-4-fluorobenzamide
CID 115739741
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 61111337
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
3-amino-4-fluoro-N-pent-3-ynylbenzamide
CID 116642578

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide (CID 64568397) is 3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide is CC(C)C(C)CNC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide?
The InChIKey is JKIQZMNAHMTUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-8(2)9(3)7-16-13(17)10-4-5-11(14)12(15)6-10/h4-6,8-9H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide?
3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide has a molecular weight of 238.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide is sourced from PubChem (CID 64568397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).