N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride

C16H22Cl2N2O2 — CID 119769970

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccc(Cl)cc2)CCC1)C1CNCCO1
InChIInChI=1S/C16H21ClN2O2.ClH/c17-13-4-2-12(3-5-13)16(6-1-7-16)11-19-15(20)14-10-18-8-9-21-14;/h2-5,14,18H,1,6-11H2,(H,19,20);1H
InChIKeyZPWWMUTUFSMISU-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.29
Rot. Bonds4

About N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119769970) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119769970
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccc(Cl)cc2)CCC1)C1CNCCO1
InChIInChI=1S/C16H21ClN2O2.ClH/c17-13-4-2-12(3-5-13)16(6-1-7-16)11-19-15(20)14-10-18-8-9-21-14;/h2-5,14,18H,1,6-11H2,(H,19,20);1H
InChIKeyZPWWMUTUFSMISU-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119761194
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119731232
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 113090708
(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120930587
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 119749968
N-[[1-(2-methylphenyl)cyclohexyl]methyl]morpholine-2-carboxamide
CID 119767062
N-[(1-ethylcyclobutyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119782167
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445861
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119820394
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769948
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride (CID 119769970) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NCC1(c2ccc(Cl)cc2)CCC1)C1CNCCO1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is ZPWWMUTUFSMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2.ClH/c17-13-4-2-12(3-5-13)16(6-1-7-16)11-19-15(20)14-10-18-8-9-21-14;/h2-5,14,18H,1,6-11H2,(H,19,20);1H.
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119769970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).