2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide

C15H19ClF2N2O2 — CID 46447092

IUPAC2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide
SMILESCC1CN(CCNC(=O)c2cc(F)c(F)cc2Cl)CC(C)O1
InChIInChI=1S/C15H19ClF2N2O2/c1-9-7-20(8-10(2)22-9)4-3-19-15(21)11-5-13(17)14(18)6-12(11)16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyZDTQGTWMVZHYAG-UHFFFAOYSA-N
MW332.78 g/mol
LogP2.46
Rot. Bonds4

About 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide

2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide (PubChem CID 46447092) has the molecular formula C15H19ClF2N2O2 and a molecular weight of 332.78 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide
PubChem CID46447092
Molecular FormulaC15H19ClF2N2O2
Molecular Weight332.78 g/mol
Exact Mass332.11
IUPAC Name2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide
SMILESCC1CN(CCNC(=O)c2cc(F)c(F)cc2Cl)CC(C)O1
InChIInChI=1S/C15H19ClF2N2O2/c1-9-7-20(8-10(2)22-9)4-3-19-15(21)11-5-13(17)14(18)6-12(11)16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21)
InChIKeyZDTQGTWMVZHYAG-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 39985361
7-chloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 51931357
4-chloro-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-fluorobenzamide
CID 51947867
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 43044370
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 94101680
3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 46446956
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-methylsulfanyl-2-nitrobenzamide
CID 55527475
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238
5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55631610
N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
CID 119407529
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide (CID 46447092) is 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide is CC1CN(CCNC(=O)c2cc(F)c(F)cc2Cl)CC(C)O1.
What is the InChIKey of 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide?
The InChIKey is ZDTQGTWMVZHYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N2O2/c1-9-7-20(8-10(2)22-9)4-3-19-15(21)11-5-13(17)14(18)6-12(11)16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide?
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide has a molecular weight of 332.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide is sourced from PubChem (CID 46447092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).