N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide

C13H14Cl2F2N2O2 — CID 60928604

IUPACN-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C13H14Cl2F2N2O2/c14-9-5-8(6-10(15)11(9)21-13(16)17)19-12(20)7-1-3-18-4-2-7/h5-7,13,18H,1-4H2,(H,19,20)
InChIKeyHDMFWVRFIQXUHU-UHFFFAOYSA-N
MW339.17 g/mol
LogP3.53
Rot. Bonds4

About N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide

N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 60928604) has the molecular formula C13H14Cl2F2N2O2 and a molecular weight of 339.17 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID60928604
Molecular FormulaC13H14Cl2F2N2O2
Molecular Weight339.17 g/mol
Exact Mass338.04
IUPAC NameN-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C13H14Cl2F2N2O2/c14-9-5-8(6-10(15)11(9)21-13(16)17)19-12(20)7-1-3-18-4-2-7/h5-7,13,18H,1-4H2,(H,19,20)
InChIKeyHDMFWVRFIQXUHU-UHFFFAOYSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 119317112
3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide
CID 54867408
N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119314349
N-(3,5-difluoro-4-iodophenyl)piperidine-4-carboxamide
CID 119312519
tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide (CID 60928604) is N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide is O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)C1CCNCC1.
What is the InChIKey of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is HDMFWVRFIQXUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2F2N2O2/c14-9-5-8(6-10(15)11(9)21-13(16)17)19-12(20)7-1-3-18-4-2-7/h5-7,13,18H,1-4H2,(H,19,20).
What are the key properties of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide?
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 339.17 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 60928604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).