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

C12H14Cl2F2N2O3 — CID 119676727

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1COCCN1
InChIInChI=1S/C12H13ClF2N2O3.ClH/c13-8-5-7(1-2-10(8)20-12(14)15)17-11(18)9-6-19-4-3-16-9;/h1-2,5,9,12,16H,3-4,6H2,(H,17,18);1H
InChIKeyCCDCNXWLUMGBMO-UHFFFAOYSA-N
MW343.16 g/mol
LogP2.29
Rot. Bonds4

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

N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119676727) has the molecular formula C12H14Cl2F2N2O3 and a molecular weight of 343.16 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119676727
Molecular FormulaC12H14Cl2F2N2O3
Molecular Weight343.16 g/mol
Exact Mass342.03
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1COCCN1
InChIInChI=1S/C12H13ClF2N2O3.ClH/c13-8-5-7(1-2-10(8)20-12(14)15)17-11(18)9-6-19-4-3-16-9;/h1-2,5,9,12,16H,3-4,6H2,(H,17,18);1H
InChIKeyCCDCNXWLUMGBMO-UHFFFAOYSA-N
XLogP2.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate
CID 119794095
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide
CID 66235659
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-(3-ethyl-4-methoxyphenyl)morpholine-3-carboxamide
CID 115177545
N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119794822
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-(2,2-difluoro-1,3-benzodioxol-5-yl)morpholine-3-carboxamide;hydrochloride
CID 119693674
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride (CID 119676727) is N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1COCCN1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is CCDCNXWLUMGBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2O3.ClH/c13-8-5-7(1-2-10(8)20-12(14)15)17-11(18)9-6-19-4-3-16-9;/h1-2,5,9,12,16H,3-4,6H2,(H,17,18);1H.
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride?
N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 343.16 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119676727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).