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

C20H22Cl2FN3O2 — CID 119286599

IUPACN-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1F)c1cc(NC(=O)C2CCCNC2)ccc1Cl
InChIInChI=1S/C20H21ClFN3O2.ClH/c21-17-8-7-15(25-19(26)14-5-3-9-23-11-14)10-16(17)20(27)24-12-13-4-1-2-6-18(13)22;/h1-2,4,6-8,10,14,23H,3,5,9,11-12H2,(H,24,27)(H,25,26);1H
InChIKeyOOTXNEXWARKXJR-UHFFFAOYSA-N
MW426.32 g/mol
LogP3.77
Rot. Bonds5

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

N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119286599) 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-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119286599
Molecular FormulaC20H22Cl2FN3O2
Molecular Weight426.32 g/mol
Exact Mass425.11
IUPAC NameN-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1F)c1cc(NC(=O)C2CCCNC2)ccc1Cl
InChIInChI=1S/C20H21ClFN3O2.ClH/c21-17-8-7-15(25-19(26)14-5-3-9-23-11-14)10-16(17)20(27)24-12-13-4-1-2-6-18(13)22;/h1-2,4,6-8,10,14,23H,3,5,9,11-12H2,(H,24,27)(H,25,26);1H
InChIKeyOOTXNEXWARKXJR-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119300196
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
N-[4-[(2-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide
CID 119311313
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119289646
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride (CID 119286599) is N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1F)c1cc(NC(=O)C2CCCNC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is OOTXNEXWARKXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2.ClH/c21-17-8-7-15(25-19(26)14-5-3-9-23-11-14)10-16(17)20(27)24-12-13-4-1-2-6-18(13)22;/h1-2,4,6-8,10,14,23H,3,5,9,11-12H2,(H,24,27)(H,25,26);1H.
What are the key properties of N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride?
N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 426.32 g/mol, XLogP of 3.77, 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-3-carboxamide;hydrochloride is sourced from PubChem (CID 119286599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).