2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide

C15H22FN3O — CID 103501374

IUPAC2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide
SMILESCC(C)C1CCN(c2cc(C(N)=O)c(N)cc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-9(2)10-3-5-19(6-4-10)14-7-11(15(18)20)13(17)8-12(14)16/h7-10H,3-6,17H2,1-2H3,(H2,18,20)
InChIKeySJDACRSYMFDGLO-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.38
Rot. Bonds3

About 2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide

2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide (PubChem CID 103501374) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide
PubChem CID103501374
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide
SMILESCC(C)C1CCN(c2cc(C(N)=O)c(N)cc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-9(2)10-3-5-19(6-4-10)14-7-11(15(18)20)13(17)8-12(14)16/h7-10H,3-6,17H2,1-2H3,(H2,18,20)
InChIKeySJDACRSYMFDGLO-UHFFFAOYSA-N
XLogP2.38
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-5-[3-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 112627711
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-4-fluorobenzamide
CID 113336035
2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide
CID 102964173
2-amino-4-fluoro-5-(4-methylazepan-1-yl)benzoic acid
CID 63627237
2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)benzoic acid
CID 59743247
2-amino-4-fluoro-5-(3-methoxypyrrolidin-1-yl)benzoic acid
CID 103537163
2-amino-4-fluoro-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzamide
CID 107225232
4-bromo-5-fluoro-2-(4-propan-2-ylazepan-1-yl)aniline
CID 116735995
1-(4-amino-5-carbamoyl-2-fluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321402
6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide
CID 133341091
5-amino-2-(4-propan-2-ylpiperidin-1-yl)benzoic acid
CID 12784702
methyl 2-amino-4-fluoro-5-(3-hydroxypyrrolidin-1-yl)benzoate
CID 55132720

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide?
The IUPAC name of 2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide (CID 103501374) is 2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide is CC(C)C1CCN(c2cc(C(N)=O)c(N)cc2F)CC1.
What is the InChIKey of 2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide?
The InChIKey is SJDACRSYMFDGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-9(2)10-3-5-19(6-4-10)14-7-11(15(18)20)13(17)8-12(14)16/h7-10H,3-6,17H2,1-2H3,(H2,18,20).
What are the key properties of 2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide?
2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide has a molecular weight of 279.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)benzamide is sourced from PubChem (CID 103501374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).