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

C12H12Cl2F2N2O2 — CID 63006958

IUPACN-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H12Cl2F2N2O2/c13-8-3-7(4-9(14)10(8)20-12(15)16)18-11(19)6-1-2-17-5-6/h3-4,6,12,17H,1-2,5H2,(H,18,19)
InChIKeyWZMYJRVBCJEORX-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.14
Rot. Bonds4

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

N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63006958) has the molecular formula C12H12Cl2F2N2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID63006958
Molecular FormulaC12H12Cl2F2N2O2
Molecular Weight325.14 g/mol
Exact Mass324.02
IUPAC NameN-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H12Cl2F2N2O2/c13-8-3-7(4-9(14)10(8)20-12(15)16)18-11(19)6-1-2-17-5-6/h3-4,6,12,17H,1-2,5H2,(H,18,19)
InChIKeyWZMYJRVBCJEORX-UHFFFAOYSA-N
XLogP3.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 75419422
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 60928604
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
(3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81119285
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide (CID 63006958) is N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)C1CCNC1.
What is the InChIKey of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is WZMYJRVBCJEORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2F2N2O2/c13-8-3-7(4-9(14)10(8)20-12(15)16)18-11(19)6-1-2-17-5-6/h3-4,6,12,17H,1-2,5H2,(H,18,19).
What are the key properties of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 325.14 g/mol, XLogP of 3.14, 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]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).