N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride

C16H22ClFN2O2 — CID 119761154

IUPACN-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccc(F)cc2)CCC1)C1COCCN1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-4-2-12(3-5-13)16(6-1-7-16)11-19-15(20)14-10-21-9-8-18-14;/h2-5,14,18H,1,6-11H2,(H,19,20);1H
InChIKeyBRXVNVCQUFNLNS-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.77
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119761154) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119761154
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.82 g/mol
Exact Mass328.14
IUPAC NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccc(F)cc2)CCC1)C1COCCN1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-4-2-12(3-5-13)16(6-1-7-16)11-19-15(20)14-10-21-9-8-18-14;/h2-5,14,18H,1,6-11H2,(H,19,20);1H
InChIKeyBRXVNVCQUFNLNS-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119310485
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 119303685
N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119780111
N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide
CID 119799168
N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119786264
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119761194
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119738787
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303673
1-[(morpholine-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311232
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877832

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride (CID 119761154) is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(NCC1(c2ccc(F)cc2)CCC1)C1COCCN1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is BRXVNVCQUFNLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.ClH/c17-13-4-2-12(3-5-13)16(6-1-7-16)11-19-15(20)14-10-21-9-8-18-14;/h2-5,14,18H,1,6-11H2,(H,19,20);1H.
What are the key properties of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride?
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 328.82 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119761154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).