2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

C20H22ClFN2O3 — CID 18588995

IUPAC2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2c(F)cccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C20H22ClFN2O3/c1-26-15-5-2-4-14(12-15)18(24-8-10-27-11-9-24)13-23-20(25)19-16(21)6-3-7-17(19)22/h2-7,12,18H,8-11,13H2,1H3,(H,23,25)
InChIKeyOCBFRXNAQURDCU-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.29
Rot. Bonds6

About 2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 18588995) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID18588995
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC Name2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2c(F)cccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C20H22ClFN2O3/c1-26-15-5-2-4-14(12-15)18(24-8-10-27-11-9-24)13-23-20(25)19-16(21)6-3-7-17(19)22/h2-7,12,18H,8-11,13H2,1H3,(H,23,25)
InChIKeyOCBFRXNAQURDCU-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (CID 18588995) is 2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is COc1cccc(C(CNC(=O)c2c(F)cccc2Cl)N2CCOCC2)c1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is OCBFRXNAQURDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-26-15-5-2-4-14(12-15)18(24-8-10-27-11-9-24)13-23-20(25)19-16(21)6-3-7-17(19)22/h2-7,12,18H,8-11,13H2,1H3,(H,23,25).
What are the key properties of 2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 392.86 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 18588995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).