N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C12H14Cl2F2N2O2 — CID 119676762

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H13ClF2N2O2.ClH/c13-9-5-8(1-2-10(9)19-12(14)15)17-11(18)7-3-4-16-6-7;/h1-2,5,7,12,16H,3-4,6H2,(H,17,18);1H
InChIKeyKWXFLQFEWTYBDW-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.91
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119676762) has the molecular formula C12H14Cl2F2N2O2 and a molecular weight of 327.16 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119676762
Molecular FormulaC12H14Cl2F2N2O2
Molecular Weight327.16 g/mol
Exact Mass326.04
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H13ClF2N2O2.ClH/c13-9-5-8(1-2-10(9)19-12(14)15)17-11(18)7-3-4-16-6-7;/h1-2,5,7,12,16H,3-4,6H2,(H,17,18);1H
InChIKeyKWXFLQFEWTYBDW-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 75419422
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63006958
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675986
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119676727
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 60928604
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813987

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119676762) is N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1CCNC1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is KWXFLQFEWTYBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2O2.ClH/c13-9-5-8(1-2-10(9)19-12(14)15)17-11(18)7-3-4-16-6-7;/h1-2,5,7,12,16H,3-4,6H2,(H,17,18);1H.
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 327.16 g/mol, XLogP of 2.91, 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]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119676762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).