N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride

C12H16BrClN2O2 — CID 119705770

IUPACN-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(Br)c1)C1CNCCO1
InChIInChI=1S/C12H15BrN2O2.ClH/c13-10-3-1-2-9(6-10)7-15-12(16)11-8-14-4-5-17-11;/h1-3,6,11,14H,4-5,7-8H2,(H,15,16);1H
InChIKeyHVNIMNDMVXSIPC-UHFFFAOYSA-N
MW335.63 g/mol
LogP1.48
Rot. Bonds3

About N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride

N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119705770) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119705770
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC NameN-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(Br)c1)C1CNCCO1
InChIInChI=1S/C12H15BrN2O2.ClH/c13-10-3-1-2-9(6-10)7-15-12(16)11-8-14-4-5-17-11;/h1-3,6,11,14H,4-5,7-8H2,(H,15,16);1H
InChIKeyHVNIMNDMVXSIPC-UHFFFAOYSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119719704
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119753692
N-[[3-(2-methylbutanoylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119716891
N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119743730
N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119781726
N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
CID 119864049
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124588176
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119846941

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride (CID 119705770) is N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NCc1cccc(Br)c1)C1CNCCO1.
What is the InChIKey of N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is HVNIMNDMVXSIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2.ClH/c13-10-3-1-2-9(6-10)7-15-12(16)11-8-14-4-5-17-11;/h1-3,6,11,14H,4-5,7-8H2,(H,15,16);1H.
What are the key properties of N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride?
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 335.63 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119705770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).