N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride

C12H16BrClN2O3 — CID 119729353

IUPACN-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCOc1ccc(Br)cc1NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C12H15BrN2O3.ClH/c1-17-10-3-2-8(13)6-9(10)15-12(16)11-7-14-4-5-18-11;/h2-3,6,11,14H,4-5,7H2,1H3,(H,15,16);1H
InChIKeyLHICFDFZWOZUJN-UHFFFAOYSA-N
MW351.63 g/mol
LogP1.81
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride

N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119729353) has the molecular formula C12H16BrClN2O3 and a molecular weight of 351.63 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119729353
Molecular FormulaC12H16BrClN2O3
Molecular Weight351.63 g/mol
Exact Mass350.00
IUPAC NameN-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCOc1ccc(Br)cc1NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C12H15BrN2O3.ClH/c1-17-10-3-2-8(13)6-9(10)15-12(16)11-7-14-4-5-18-11;/h2-3,6,11,14H,4-5,7H2,1H3,(H,15,16);1H
InChIKeyLHICFDFZWOZUJN-UHFFFAOYSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674283
N-(2,4,5-trimethoxyphenyl)morpholine-2-carboxamide
CID 119808138
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide
CID 55110367
N-(4,5-dimethoxy-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679112
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119755679
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide
CID 119833788
methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate
CID 119748523
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119723387

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride (CID 119729353) is N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride is COc1ccc(Br)cc1NC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is LHICFDFZWOZUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3.ClH/c1-17-10-3-2-8(13)6-9(10)15-12(16)11-7-14-4-5-18-11;/h2-3,6,11,14H,4-5,7H2,1H3,(H,15,16);1H.
What are the key properties of N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride?
N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 351.63 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119729353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).