N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide

C19H21FN2O4 — CID 126678400

IUPACN-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide
SMILESO=C(NCC1CN(Cc2ccc(F)cc2)CCO1)c1cc(O)ccc1O
InChIInChI=1S/C19H21FN2O4/c20-14-3-1-13(2-4-14)11-22-7-8-26-16(12-22)10-21-19(25)17-9-15(23)5-6-18(17)24/h1-6,9,16,23-24H,7-8,10-12H2,(H,21,25)
InChIKeyKLNTXCRCMVAUIC-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.87
Rot. Bonds5

About N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide

N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide (PubChem CID 126678400) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide
PubChem CID126678400
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide
SMILESO=C(NCC1CN(Cc2ccc(F)cc2)CCO1)c1cc(O)ccc1O
InChIInChI=1S/C19H21FN2O4/c20-14-3-1-13(2-4-14)11-22-7-8-26-16(12-22)10-21-19(25)17-9-15(23)5-6-18(17)24/h1-6,9,16,23-24H,7-8,10-12H2,(H,21,25)
InChIKeyKLNTXCRCMVAUIC-UHFFFAOYSA-N
XLogP1.87
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
(4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 69418707
N-[(4-benzylmorpholin-2-yl)methyl]-5-chloro-4-(dimethylamino)-2-hydroxybenzamide
CID 14881990
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
4-amino-5-chloro-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-(3-methylbut-2-enoxy)benzamide
CID 14881964
N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43021327
5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-4-(furan-2-yl)benzamide
CID 168526206
5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 46523422
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 43064031
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide (CID 126678400) is N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide is O=C(NCC1CN(Cc2ccc(F)cc2)CCO1)c1cc(O)ccc1O.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide?
The InChIKey is KLNTXCRCMVAUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c20-14-3-1-13(2-4-14)11-22-7-8-26-16(12-22)10-21-19(25)17-9-15(23)5-6-18(17)24/h1-6,9,16,23-24H,7-8,10-12H2,(H,21,25).
What are the key properties of N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide?
N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide has a molecular weight of 360.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 126678400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).