N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide

C14H16ClFN2O3 — CID 2798012

IUPACN-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(=O)c2ccc(F)c(Cl)c2)CC(C)O1
InChIInChI=1S/C14H16ClFN2O3/c1-8-6-18(7-9(2)21-8)14(20)17-13(19)10-3-4-12(16)11(15)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,17,19,20)
InChIKeyVGSRYCIJPCQAOS-UHFFFAOYSA-N
MW314.74 g/mol
LogP2.44
Rot. Bonds1

About N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide

N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 2798012) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID2798012
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC NameN-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(=O)c2ccc(F)c(Cl)c2)CC(C)O1
InChIInChI=1S/C14H16ClFN2O3/c1-8-6-18(7-9(2)21-8)14(20)17-13(19)10-3-4-12(16)11(15)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,17,19,20)
InChIKeyVGSRYCIJPCQAOS-UHFFFAOYSA-N
XLogP2.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Moclobemide
CID 4235
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
4-chloro-N-[(2,6-dimethyl-4-morpholinyl)carbonothioyl]benzamide
CID 2908676
3-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2269216
N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
CID 3485450
4-fluoro-N-(2,2,2-trichloro-1-morpholinoethyl)benzamide
CID 4078131
2-chloro-N-(2,2,2-trichloro-1-morpholinoethyl)benzamide
CID 2834307
2-chloro-N-(morpholine-4-carbothioyl)benzamide
CID 882896
2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 885892
N-(4-chlorobenzoyl)piperidine-1-carboxamide
CID 977286
2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2234725
3-chloro-N-(2-(morpholin-4-yl)ethyl)benzamide
CID 669179

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide (CID 2798012) is N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)NC(=O)c2ccc(F)c(Cl)c2)CC(C)O1.
What is the InChIKey of N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is VGSRYCIJPCQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c1-8-6-18(7-9(2)21-8)14(20)17-13(19)10-3-4-12(16)11(15)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,17,19,20).
What are the key properties of N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide?
N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 314.74 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 2798012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).