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

C12H15BrCl2N2O2 — CID 119753692

IUPACN-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Br)cc1Cl)C1CNCCO1
InChIInChI=1S/C12H14BrClN2O2.ClH/c13-9-2-1-8(10(14)5-9)6-16-12(17)11-7-15-3-4-18-11;/h1-2,5,11,15H,3-4,6-7H2,(H,16,17);1H
InChIKeyGDMAWFXBYLWJJO-UHFFFAOYSA-N
MW370.07 g/mol
LogP2.13
Rot. Bonds3

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

N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119753692) has the molecular formula C12H15BrCl2N2O2 and a molecular weight of 370.07 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119753692
Molecular FormulaC12H15BrCl2N2O2
Molecular Weight370.07 g/mol
Exact Mass367.97
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Br)cc1Cl)C1CNCCO1
InChIInChI=1S/C12H14BrClN2O2.ClH/c13-9-2-1-8(10(14)5-9)6-16-12(17)11-7-15-3-4-18-11;/h1-2,5,11,15H,3-4,6-7H2,(H,16,17);1H
InChIKeyGDMAWFXBYLWJJO-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.07
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[(4-methyl-2-phenoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811725
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119719704
4-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674132
2-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976837
N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811545
N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119809493
N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119782391
N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119806742

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride (CID 119753692) is N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(Br)cc1Cl)C1CNCCO1.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is GDMAWFXBYLWJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2.ClH/c13-9-2-1-8(10(14)5-9)6-16-12(17)11-7-15-3-4-18-11;/h1-2,5,11,15H,3-4,6-7H2,(H,16,17);1H.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride?
N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 370.07 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119753692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).