N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide

C14H18Cl2N2O2 — CID 119768768

IUPACN-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide
SMILESCC(CNC(=O)C1CNCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-9(13-10(15)3-2-4-11(13)16)7-18-14(19)12-8-17-5-6-20-12/h2-4,9,12,17H,5-8H2,1H3,(H,18,19)
InChIKeySNRMASNCLAIAFM-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.20
Rot. Bonds4

About N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide

N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide (PubChem CID 119768768) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide
PubChem CID119768768
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide
SMILESCC(CNC(=O)C1CNCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-9(13-10(15)3-2-4-11(13)16)7-18-14(19)12-8-17-5-6-20-12/h2-4,9,12,17H,5-8H2,1H3,(H,18,19)
InChIKeySNRMASNCLAIAFM-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride
CID 122148196
N-[2-(3-chlorophenoxy)propyl]morpholine-2-carboxamide;hydrochloride
CID 119807139
N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide
CID 119804946
(2R)-N-(2-aminopropyl)morpholine-2-carboxamide;hydrochloride
CID 130680040
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499
N-[2-[benzyl(methyl)amino]propyl]morpholine-2-carboxamide
CID 119885731
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide
CID 119830971
N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
CID 119819907
methyl 2-methyl-3-(morpholine-2-carbonylamino)propanoate;hydrochloride
CID 119768677
N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
CID 81372205
N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119782391

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide (CID 119768768) is N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide is CC(CNC(=O)C1CNCCO1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide?
The InChIKey is SNRMASNCLAIAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9(13-10(15)3-2-4-11(13)16)7-18-14(19)12-8-17-5-6-20-12/h2-4,9,12,17H,5-8H2,1H3,(H,18,19).
What are the key properties of N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide?
N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide is sourced from PubChem (CID 119768768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).