N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride

C13H17BrClN3O3 — CID 119737995

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(CNC(=O)C1COCCN1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3O3.ClH/c14-9-1-3-10(4-2-9)17-12(18)7-16-13(19)11-8-20-6-5-15-11;/h1-4,11,15H,5-8H2,(H,16,19)(H,17,18);1H
InChIKeyGBNXEIRDDVQIAS-UHFFFAOYSA-N
MW378.65 g/mol
LogP0.91
Rot. Bonds4

About N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride

N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119737995) has the molecular formula C13H17BrClN3O3 and a molecular weight of 378.65 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119737995
Molecular FormulaC13H17BrClN3O3
Molecular Weight378.65 g/mol
Exact Mass377.01
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(CNC(=O)C1COCCN1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3O3.ClH/c14-9-1-3-10(4-2-9)17-12(18)7-16-13(19)11-8-20-6-5-15-11;/h1-4,11,15H,5-8H2,(H,16,19)(H,17,18);1H
InChIKeyGBNXEIRDDVQIAS-UHFFFAOYSA-N
XLogP0.91
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926240
N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide
CID 115177656
N-[2-(tert-butylamino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride
CID 119692656
N-(4-bromophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]acetamide
CID 120913805
N-[4-(ethylcarbamoyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119714110
N-(2-chloroprop-2-enyl)morpholine-3-carboxamide
CID 115739704
N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119731563
ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
CID 119672431
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride (CID 119737995) is N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(CNC(=O)C1COCCN1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is GBNXEIRDDVQIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3.ClH/c14-9-1-3-10(4-2-9)17-12(18)7-16-13(19)11-8-20-6-5-15-11;/h1-4,11,15H,5-8H2,(H,16,19)(H,17,18);1H.
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride?
N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 378.65 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119737995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).