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

C25H27FN2O3 — CID 118727124

IUPACN-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1F
InChIInChI=1S/C25H27FN2O3/c1-3-28(4-2)13-14-31-24-12-11-21(17-23(24)26)27-25(30)20-9-5-7-18(15-20)19-8-6-10-22(29)16-19/h5-12,15-17,29H,3-4,13-14H2,1-2H3,(H,27,30)
InChIKeyUVNBAMGRKKPWRZ-UHFFFAOYSA-N
MW422.50 g/mol
LogP5.17
Rot. Bonds9

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

N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide (PubChem CID 118727124) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide
PubChem CID118727124
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC NameN-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1F
InChIInChI=1S/C25H27FN2O3/c1-3-28(4-2)13-14-31-24-12-11-21(17-23(24)26)27-25(30)20-9-5-7-18(15-20)19-8-6-10-22(29)16-19/h5-12,15-17,29H,3-4,13-14H2,1-2H3,(H,27,30)
InChIKeyUVNBAMGRKKPWRZ-UHFFFAOYSA-N
XLogP5.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11081612
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CID 951257
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CID 732389
3-isopropoxy-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 979227
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CID 2946926
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylbenzamide
CID 10295411
2,8-Dihydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydrobenzo[c]phenanthridin-6-one
CID 10928963

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide (CID 118727124) is N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide is CCN(CC)CCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1F.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide?
The InChIKey is UVNBAMGRKKPWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-3-28(4-2)13-14-31-24-12-11-21(17-23(24)26)27-25(30)20-9-5-7-18(15-20)19-8-6-10-22(29)16-19/h5-12,15-17,29H,3-4,13-14H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide?
N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide has a molecular weight of 422.50 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]-3-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 118727124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).