N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride

C20H23ClFN3O2 — CID 119286603

IUPACN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1F)c1ccc(NC(=O)C2CCCCN2)cc1
InChIInChI=1S/C20H22FN3O2.ClH/c21-17-6-2-1-5-15(17)13-23-19(25)14-8-10-16(11-9-14)24-20(26)18-7-3-4-12-22-18;/h1-2,5-6,8-11,18,22H,3-4,7,12-13H2,(H,23,25)(H,24,26);1H
InChIKeyIJUIUIXHCADOEW-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.26
Rot. Bonds5

About N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride

N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119286603) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119286603
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC NameN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1F)c1ccc(NC(=O)C2CCCCN2)cc1
InChIInChI=1S/C20H22FN3O2.ClH/c21-17-6-2-1-5-15(17)13-23-19(25)14-8-10-16(11-9-14)24-20(26)18-7-3-4-12-22-18;/h1-2,5-6,8-11,18,22H,3-4,7,12-13H2,(H,23,25)(H,24,26);1H
InChIKeyIJUIUIXHCADOEW-UHFFFAOYSA-N
XLogP3.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286589
N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119718420
(2S)-N-[4-(prop-2-enylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740948
2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974926
(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 119718400
(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 119885587
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
(2R,3S)-N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120923570
(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-2-carboxamide
CID 119299543
(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 103808292

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride (CID 119286603) is N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1F)c1ccc(NC(=O)C2CCCCN2)cc1.
What is the InChIKey of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is IJUIUIXHCADOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2.ClH/c21-17-6-2-1-5-15(17)13-23-19(25)14-8-10-16(11-9-14)24-20(26)18-7-3-4-12-22-18;/h1-2,5-6,8-11,18,22H,3-4,7,12-13H2,(H,23,25)(H,24,26);1H.
What are the key properties of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride?
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 391.87 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119286603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).