2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide

C14H18Cl2N2O2 — CID 110364326

IUPAC2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
SMILESCCCNC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2N2O2/c1-2-5-17-14(19)18-6-7-20-13(9-18)10-3-4-11(15)12(16)8-10/h3-4,8,13H,2,5-7,9H2,1H3,(H,17,19)
InChIKeyVZBKPAWISBSSFD-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.49
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide

2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide (PubChem CID 110364326) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
PubChem CID110364326
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
SMILESCCCNC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2N2O2/c1-2-5-17-14(19)18-6-7-20-13(9-18)10-3-4-11(15)12(16)8-10/h3-4,8,13H,2,5-7,9H2,1H3,(H,17,19)
InChIKeyVZBKPAWISBSSFD-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021290
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-ethylpyrazol-4-yl)methanone
CID 56755726
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119769922
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 56757209
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone
CID 56749922
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 95211473
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
CID 120988781
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 56743980

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide (CID 110364326) is 2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide is CCCNC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide?
The InChIKey is VZBKPAWISBSSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-2-5-17-14(19)18-6-7-20-13(9-18)10-3-4-11(15)12(16)8-10/h3-4,8,13H,2,5-7,9H2,1H3,(H,17,19).
What are the key properties of 2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide?
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide is sourced from PubChem (CID 110364326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).