N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide

C25H25ClN2O4 — CID 118727134

IUPACN-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C25H25ClN2O4/c26-23-17-21(7-8-24(23)32-14-11-28-9-12-31-13-10-28)27-25(30)20-5-1-3-18(15-20)19-4-2-6-22(29)16-19/h1-8,15-17,29H,9-14H2,(H,27,30)
InChIKeyMSLVOCOHTAIVGS-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.68
Rot. Bonds7

About N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide

N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide (PubChem CID 118727134) has the molecular formula C25H25ClN2O4 and a molecular weight of 452.94 g/mol. Its IUPAC name is N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide
PubChem CID118727134
Molecular FormulaC25H25ClN2O4
Molecular Weight452.94 g/mol
Exact Mass452.15
IUPAC NameN-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C25H25ClN2O4/c26-23-17-21(7-8-24(23)32-14-11-28-9-12-31-13-10-28)27-25(30)20-5-1-3-18(15-20)19-4-2-6-22(29)16-19/h1-8,15-17,29H,9-14H2,(H,27,30)
InChIKeyMSLVOCOHTAIVGS-UHFFFAOYSA-N
XLogP4.68
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide?
The IUPAC name of N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide (CID 118727134) is N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide?
The canonical SMILES for N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide is O=C(Nc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cccc(-c2cccc(O)c2)c1.
What is the InChIKey of N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide?
The InChIKey is MSLVOCOHTAIVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4/c26-23-17-21(7-8-24(23)32-14-11-28-9-12-31-13-10-28)27-25(30)20-5-1-3-18(15-20)19-4-2-6-22(29)16-19/h1-8,15-17,29H,9-14H2,(H,27,30).
What are the key properties of N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide?
N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide has a molecular weight of 452.94 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 118727134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).