4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride

C19H21ClFN3O2 — CID 119710955

IUPAC4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H20FN3O2.ClH/c20-17-4-2-1-3-16(17)19(25)23-11-9-15(10-12-23)22-18(24)13-5-7-14(21)8-6-13;/h1-8,15H,9-12,21H2,(H,22,24);1H
InChIKeySZNWSGBVZAWROZ-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.86
Rot. Bonds3

About 4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride

4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride (PubChem CID 119710955) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
PubChem CID119710955
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H20FN3O2.ClH/c20-17-4-2-1-3-16(17)19(25)23-11-9-15(10-12-23)22-18(24)13-5-7-14(21)8-6-13;/h1-8,15H,9-12,21H2,(H,22,24);1H
InChIKeySZNWSGBVZAWROZ-UHFFFAOYSA-N
XLogP2.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.86
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-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
ethyl [4-[[1-(2-fluorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548597
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554387
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55702964
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 166220491

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride (CID 119710955) is 4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride is Cl.Nc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of 4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is SZNWSGBVZAWROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2.ClH/c20-17-4-2-1-3-16(17)19(25)23-11-9-15(10-12-23)22-18(24)13-5-7-14(21)8-6-13;/h1-8,15H,9-12,21H2,(H,22,24);1H.
What are the key properties of 4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride?
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 377.85 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119710955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).