3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide

C15H22FN3O2 — CID 61115533

IUPAC3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(CCO)C(=O)c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C15H22FN3O2/c1-18-6-4-12(5-7-18)19(8-9-20)15(21)11-2-3-13(16)14(17)10-11/h2-3,10,12,20H,4-9,17H2,1H3
InChIKeyPOBHSLUUQWRGNN-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.94
Rot. Bonds4

About 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide

3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 61115533) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID61115533
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(CCO)C(=O)c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C15H22FN3O2/c1-18-6-4-12(5-7-18)19(8-9-20)15(21)11-2-3-13(16)14(17)10-11/h2-3,10,12,20H,4-9,17H2,1H3
InChIKeyPOBHSLUUQWRGNN-UHFFFAOYSA-N
XLogP0.94
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 61107794
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60959224
3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 61095056
4-amino-N-(1,1-dioxothiolan-3-yl)-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 62680785
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 102684653
3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
CID 43574421
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzamide
CID 61112481
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 104852406
4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 89245487
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 54995378

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide (CID 61115533) is 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(CCO)C(=O)c2ccc(F)c(N)c2)CC1.
What is the InChIKey of 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is POBHSLUUQWRGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-18-6-4-12(5-7-18)19(8-9-20)15(21)11-2-3-13(16)14(17)10-11/h2-3,10,12,20H,4-9,17H2,1H3.
What are the key properties of 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide?
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 295.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 61115533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).