2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

C19H17ClF2N2O4 — CID 600466

IUPAC2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H17ClF2N2O4/c20-15-10-17(22)16(21)9-14(15)19(26)23-12-1-3-13(4-2-12)28-11-18(25)24-5-7-27-8-6-24/h1-4,9-10H,5-8,11H2,(H,23,26)
InChIKeyQGHKIXPKKVXVDV-UHFFFAOYSA-N
MW410.80 g/mol
LogP3.11
Rot. Bonds5

About 2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (PubChem CID 600466) has the molecular formula C19H17ClF2N2O4 and a molecular weight of 410.80 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
PubChem CID600466
Molecular FormulaC19H17ClF2N2O4
Molecular Weight410.80 g/mol
Exact Mass410.08
IUPAC Name2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H17ClF2N2O4/c20-15-10-17(22)16(21)9-14(15)19(26)23-12-1-3-13(4-2-12)28-11-18(25)24-5-7-27-8-6-24/h1-4,9-10H,5-8,11H2,(H,23,26)
InChIKeyQGHKIXPKKVXVDV-UHFFFAOYSA-N
XLogP3.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (CID 600466) is 2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The InChIKey is QGHKIXPKKVXVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O4/c20-15-10-17(22)16(21)9-14(15)19(26)23-12-1-3-13(4-2-12)28-11-18(25)24-5-7-27-8-6-24/h1-4,9-10H,5-8,11H2,(H,23,26).
What are the key properties of 2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide has a molecular weight of 410.80 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is sourced from PubChem (CID 600466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).