N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide

C16H21Cl2FN2O2 — CID 4640618

IUPACN-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1ccc(C(NC(=O)N2CC(C)OC(C)C2)C(Cl)Cl)cc1F
InChIInChI=1S/C16H21Cl2FN2O2/c1-9-4-5-12(6-13(9)19)14(15(17)18)20-16(22)21-7-10(2)23-11(3)8-21/h4-6,10-11,14-15H,7-8H2,1-3H3,(H,20,22)
InChIKeyHVZZCOGLJCDBBM-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.80
Rot. Bonds3

About N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide

N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 4640618) has the molecular formula C16H21Cl2FN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID4640618
Molecular FormulaC16H21Cl2FN2O2
Molecular Weight363.26 g/mol
Exact Mass362.10
IUPAC NameN-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1ccc(C(NC(=O)N2CC(C)OC(C)C2)C(Cl)Cl)cc1F
InChIInChI=1S/C16H21Cl2FN2O2/c1-9-4-5-12(6-13(9)19)14(15(17)18)20-16(22)21-7-10(2)23-11(3)8-21/h4-6,10-11,14-15H,7-8H2,1-3H3,(H,20,22)
InChIKeyHVZZCOGLJCDBBM-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-4-ethylpiperazine-1-carboxamide
CID 2331449
1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015948
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51326046
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 108895345
(3-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 143211757
N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108908321
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457
2-(3,4-dimethylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 17399590
(2R,6S)-N-[(2R)-5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 27604008

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide (CID 4640618) is N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide is Cc1ccc(C(NC(=O)N2CC(C)OC(C)C2)C(Cl)Cl)cc1F.
What is the InChIKey of N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is HVZZCOGLJCDBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2FN2O2/c1-9-4-5-12(6-13(9)19)14(15(17)18)20-16(22)21-7-10(2)23-11(3)8-21/h4-6,10-11,14-15H,7-8H2,1-3H3,(H,20,22).
What are the key properties of N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 4640618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).