2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide

C13H20FN3O — CID 62201221

IUPAC2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide
SMILESCCCCC(C)Nc1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C13H20FN3O/c1-3-4-5-8(2)17-12-6-9(13(16)18)11(15)7-10(12)14/h6-8,17H,3-5,15H2,1-2H3,(H2,16,18)
InChIKeyAXJIOSSWABUNIF-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.50
Rot. Bonds6

About 2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide

2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide (PubChem CID 62201221) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide
PubChem CID62201221
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide
SMILESCCCCC(C)Nc1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C13H20FN3O/c1-3-4-5-8(2)17-12-6-9(13(16)18)11(15)7-10(12)14/h6-8,17H,3-5,15H2,1-2H3,(H2,16,18)
InChIKeyAXJIOSSWABUNIF-UHFFFAOYSA-N
XLogP2.50
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-5-(heptan-2-ylamino)benzamide
CID 43673685
2-amino-5-(1-cyclopropylpropan-2-ylamino)-4-fluorobenzamide
CID 63996582
2-amino-4-fluoro-5-(7-methyloctylamino)benzamide
CID 107817780
methyl 2,4-difluoro-5-(pentan-2-ylamino)benzoate
CID 43731449
2-amino-4-bromo-5-(heptan-2-ylamino)benzoic acid
CID 114278291
2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide
CID 43673793
5-amino-2-(pentan-2-ylamino)benzamide
CID 61311530
N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide
CID 43778939
5-amino-2-(hexan-2-ylamino)benzoic acid
CID 62200465
2-amino-4-fluoro-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 62103248
2,6-difluoro-3-(nonan-2-ylamino)benzamide
CID 155520957
2-amino-3-(pentan-2-ylamino)benzamide
CID 115544249

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide?
The IUPAC name of 2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide (CID 62201221) is 2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide?
The canonical SMILES for 2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide is CCCCC(C)Nc1cc(C(N)=O)c(N)cc1F.
What is the InChIKey of 2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide?
The InChIKey is AXJIOSSWABUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-4-5-8(2)17-12-6-9(13(16)18)11(15)7-10(12)14/h6-8,17H,3-5,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide?
2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide has a molecular weight of 253.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-(hexan-2-ylamino)benzamide is sourced from PubChem (CID 62201221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).