N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide

C19H21F2N2O3+ — CID 9046550

IUPACN-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H20F2N2O3/c20-19(21)26-17-7-5-16(6-8-17)22-18(24)15-3-1-14(2-4-15)13-23-9-11-25-12-10-23/h1-8,19H,9-13H2,(H,22,24)/p+1
InChIKeyOSSBAOAYUPMBLO-UHFFFAOYSA-O
MW363.38 g/mol
LogP1.96
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide

N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide (PubChem CID 9046550) has the molecular formula C19H21F2N2O3+ and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
PubChem CID9046550
Molecular FormulaC19H21F2N2O3+
Molecular Weight363.38 g/mol
Exact Mass363.15
IUPAC NameN-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H20F2N2O3/c20-19(21)26-17-7-5-16(6-8-17)22-18(24)15-3-1-14(2-4-15)13-23-9-11-25-12-10-23/h1-8,19H,9-13H2,(H,22,24)/p+1
InChIKeyOSSBAOAYUPMBLO-UHFFFAOYSA-O
XLogP1.96
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6958043
4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide
CID 7372335
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6949966
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
4-butoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 7312503
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2162099
4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 3928894

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide (CID 9046550) is N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccc(C[NH+]2CCOCC2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The InChIKey is OSSBAOAYUPMBLO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20F2N2O3/c20-19(21)26-17-7-5-16(6-8-17)22-18(24)15-3-1-14(2-4-15)13-23-9-11-25-12-10-23/h1-8,19H,9-13H2,(H,22,24)/p+1.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide?
N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide has a molecular weight of 363.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide is sourced from PubChem (CID 9046550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).