N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide

C13H16Cl2N2O3 — CID 102976072

IUPACN-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC(CO)O1
InChIInChI=1S/C13H16Cl2N2O3/c1-8-5-17(6-12(7-18)20-8)13(19)16-11-3-9(14)2-10(15)4-11/h2-4,8,12,18H,5-7H2,1H3,(H,16,19)
InChIKeySRWDFESALYAQPW-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.61
Rot. Bonds2

About N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide

N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide (PubChem CID 102976072) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
PubChem CID102976072
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC NameN-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC(CO)O1
InChIInChI=1S/C13H16Cl2N2O3/c1-8-5-17(6-12(7-18)20-8)13(19)16-11-3-9(14)2-10(15)4-11/h2-4,8,12,18H,5-7H2,1H3,(H,16,19)
InChIKeySRWDFESALYAQPW-UHFFFAOYSA-N
XLogP2.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102934811
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
3-amino-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 107654152
N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 108895345
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934660
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102933143
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid
CID 102933782
(4-chloro-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934476
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 102932297

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide (CID 102976072) is N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide is CC1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC(CO)O1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The InChIKey is SRWDFESALYAQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-8-5-17(6-12(7-18)20-8)13(19)16-11-3-9(14)2-10(15)4-11/h2-4,8,12,18H,5-7H2,1H3,(H,16,19).
What are the key properties of N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide has a molecular weight of 319.19 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 102976072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).