N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide

C13H15ClF2N2O2 — CID 61260908

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C13H15ClF2N2O2/c14-10-6-9(3-4-11(10)20-13(15)16)18-12(19)8-2-1-5-17-7-8/h3-4,6,8,13,17H,1-2,5,7H2,(H,18,19)
InChIKeyDXHCHCZKVFTDCT-UHFFFAOYSA-N
MW304.72 g/mol
LogP2.88
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 61260908) has the molecular formula C13H15ClF2N2O2 and a molecular weight of 304.72 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
PubChem CID61260908
Molecular FormulaC13H15ClF2N2O2
Molecular Weight304.72 g/mol
Exact Mass304.08
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C13H15ClF2N2O2/c14-10-6-9(3-4-11(10)20-13(15)16)18-12(19)8-2-1-5-17-7-8/h3-4,6,8,13,17H,1-2,5,7H2,(H,18,19)
InChIKeyDXHCHCZKVFTDCT-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675986
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63006958
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 75419422
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-3-carboxamide
CID 81119085
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide (CID 61260908) is N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1CCCNC1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is DXHCHCZKVFTDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O2/c14-10-6-9(3-4-11(10)20-13(15)16)18-12(19)8-2-1-5-17-7-8/h3-4,6,8,13,17H,1-2,5,7H2,(H,18,19).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 304.72 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 61260908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).