N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride

C19H20ClF2N3O2 — CID 119422265

IUPACN-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H19F2N3O2.ClH/c20-13-5-6-14(15(21)11-13)19(26)24-9-7-12(8-10-24)18(25)23-17-4-2-1-3-16(17)22;/h1-6,11-12H,7-10,22H2,(H,23,25);1H
InChIKeyUKQZIRLEYIVCHB-UHFFFAOYSA-N
MW395.84 g/mol
LogP3.46
Rot. Bonds3

About N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride

N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119422265) has the molecular formula C19H20ClF2N3O2 and a molecular weight of 395.84 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119422265
Molecular FormulaC19H20ClF2N3O2
Molecular Weight395.84 g/mol
Exact Mass395.12
IUPAC NameN-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H19F2N3O2.ClH/c20-13-5-6-14(15(21)11-13)19(26)24-9-7-12(8-10-24)18(25)23-17-4-2-1-3-16(17)22;/h1-6,11-12H,7-10,22H2,(H,23,25);1H
InChIKeyUKQZIRLEYIVCHB-UHFFFAOYSA-N
XLogP3.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 53.46
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

N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 51208693
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30992722
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119945231
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride (CID 119422265) is N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride is Cl.Nc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is UKQZIRLEYIVCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2.ClH/c20-13-5-6-14(15(21)11-13)19(26)24-9-7-12(8-10-24)18(25)23-17-4-2-1-3-16(17)22;/h1-6,11-12H,7-10,22H2,(H,23,25);1H.
What are the key properties of N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride?
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 395.84 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119422265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).