N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride

C20H22Cl2FN3O2 — CID 119286589

IUPACN-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1F)c1cc(NC(=O)C2CCCCN2)ccc1Cl
InChIInChI=1S/C20H21ClFN3O2.ClH/c21-16-9-8-14(25-20(27)18-7-3-4-10-23-18)11-15(16)19(26)24-12-13-5-1-2-6-17(13)22;/h1-2,5-6,8-9,11,18,23H,3-4,7,10,12H2,(H,24,26)(H,25,27);1H
InChIKeyWBHHJRWJOFNARE-UHFFFAOYSA-N
MW426.32 g/mol
LogP3.91
Rot. Bonds5

About N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride

N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119286589) has the molecular formula C20H22Cl2FN3O2 and a molecular weight of 426.32 g/mol. Its IUPAC name is N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119286589
Molecular FormulaC20H22Cl2FN3O2
Molecular Weight426.32 g/mol
Exact Mass425.11
IUPAC NameN-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1F)c1cc(NC(=O)C2CCCCN2)ccc1Cl
InChIInChI=1S/C20H21ClFN3O2.ClH/c21-16-9-8-14(25-20(27)18-7-3-4-10-23-18)11-15(16)19(26)24-12-13-5-1-2-6-17(13)22;/h1-2,5-6,8-9,11,18,23H,3-4,7,10,12H2,(H,24,26)(H,25,27);1H
InChIKeyWBHHJRWJOFNARE-UHFFFAOYSA-N
XLogP3.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286603
N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119286599
N-[4-chloro-3-(thiophen-2-ylmethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119342337
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119718954
5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 119286595
2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27163581
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119298613
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride (CID 119286589) is N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1F)c1cc(NC(=O)C2CCCCN2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is WBHHJRWJOFNARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2.ClH/c21-16-9-8-14(25-20(27)18-7-3-4-10-23-18)11-15(16)19(26)24-12-13-5-1-2-6-17(13)22;/h1-2,5-6,8-9,11,18,23H,3-4,7,10,12H2,(H,24,26)(H,25,27);1H.
What are the key properties of N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride?
N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 426.32 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119286589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).