2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

C18H23ClF2N2O2 — CID 9441508

IUPAC2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C18H23ClF2N2O2/c19-14-11-16(21)15(20)10-13(14)17(24)22-12-18(4-2-1-3-5-18)23-6-8-25-9-7-23/h10-11H,1-9,12H2,(H,22,24)
InChIKeyLVJCDSSRLQOSJC-UHFFFAOYSA-N
MW372.84 g/mol
LogP3.38
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (PubChem CID 9441508) has the molecular formula C18H23ClF2N2O2 and a molecular weight of 372.84 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
PubChem CID9441508
Molecular FormulaC18H23ClF2N2O2
Molecular Weight372.84 g/mol
Exact Mass372.14
IUPAC Name2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C18H23ClF2N2O2/c19-14-11-16(21)15(20)10-13(14)17(24)22-12-18(4-2-1-3-5-18)23-6-8-25-9-7-23/h10-11H,1-9,12H2,(H,22,24)
InChIKeyLVJCDSSRLQOSJC-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (CID 9441508) is 2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The InChIKey is LVJCDSSRLQOSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF2N2O2/c19-14-11-16(21)15(20)10-13(14)17(24)22-12-18(4-2-1-3-5-18)23-6-8-25-9-7-23/h10-11H,1-9,12H2,(H,22,24).
What are the key properties of 2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide has a molecular weight of 372.84 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 9441508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).