3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide

C20H23ClN2O3 — CID 979234

IUPAC3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-2-26-19-8-5-16(13-18(19)21)20(24)22-17-6-3-15(4-7-17)14-23-9-11-25-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,22,24)
InChIKeyLJFIHSTUSHPBGC-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.82
Rot. Bonds6

About 3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide

3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (PubChem CID 979234) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
PubChem CID979234
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-2-26-19-8-5-16(13-18(19)21)20(24)22-17-6-3-15(4-7-17)14-23-9-11-25-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,22,24)
InChIKeyLJFIHSTUSHPBGC-UHFFFAOYSA-N
XLogP3.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide (CID 979234) is 3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
The InChIKey is LJFIHSTUSHPBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-2-26-19-8-5-16(13-18(19)21)20(24)22-17-6-3-15(4-7-17)14-23-9-11-25-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,22,24).
What are the key properties of 3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide?
3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 979234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).