N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride

C12H16Cl2N2O2 — CID 119671790

IUPACN-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCc1c(Cl)cccc1NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C12H15ClN2O2.ClH/c1-8-9(13)3-2-4-10(8)15-12(16)11-7-14-5-6-17-11;/h2-4,11,14H,5-7H2,1H3,(H,15,16);1H
InChIKeyZFKHLDDDEHPYOF-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.00
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride

N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119671790) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119671790
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC NameN-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCc1c(Cl)cccc1NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C12H15ClN2O2.ClH/c1-8-9(13)3-2-4-10(8)15-12(16)11-7-14-5-6-17-11;/h2-4,11,14H,5-7H2,1H3,(H,15,16);1H
InChIKeyZFKHLDDDEHPYOF-UHFFFAOYSA-N
XLogP2.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119671783
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N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752
N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-[2-[(2-methylpropan-2-yl)oxy]phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792290
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
CID 119810610
(2S)-N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide
CID 95871007
N-(2-ethyl-3-methyl-1-benzofuran-7-yl)morpholine-2-carboxamide
CID 56896506
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide
CID 119870111
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride (CID 119671790) is N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride is Cc1c(Cl)cccc1NC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is ZFKHLDDDEHPYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2.ClH/c1-8-9(13)3-2-4-10(8)15-12(16)11-7-14-5-6-17-11;/h2-4,11,14H,5-7H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride?
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 291.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119671790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).