N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide

C23H23FN2O3 — CID 118727123

IUPACN-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide
SMILESCN(C)CCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1F
InChIInChI=1S/C23H23FN2O3/c1-26(2)11-12-29-22-10-9-19(15-21(22)24)25-23(28)18-7-3-5-16(13-18)17-6-4-8-20(27)14-17/h3-10,13-15,27H,11-12H2,1-2H3,(H,25,28)
InChIKeyKQDWCMQFWQNZTA-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.39
Rot. Bonds7

About N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide

N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide (PubChem CID 118727123) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide
PubChem CID118727123
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide
SMILESCN(C)CCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1F
InChIInChI=1S/C23H23FN2O3/c1-26(2)11-12-29-22-10-9-19(15-21(22)24)25-23(28)18-7-3-5-16(13-18)17-6-4-8-20(27)14-17/h3-10,13-15,27H,11-12H2,1-2H3,(H,25,28)
InChIKeyKQDWCMQFWQNZTA-UHFFFAOYSA-N
XLogP4.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide (CID 118727123) is N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide is CN(C)CCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1F.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide?
The InChIKey is KQDWCMQFWQNZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-26(2)11-12-29-22-10-9-19(15-21(22)24)25-23(28)18-7-3-5-16(13-18)17-6-4-8-20(27)14-17/h3-10,13-15,27H,11-12H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide?
N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide has a molecular weight of 394.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 118727123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).