5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide

C19H23FN2O3 — CID 12814711

IUPAC5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
SMILESCC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H23FN2O3/c1-12(2-3-13-4-7-15(20)8-5-13)22-11-18(24)14-6-9-17(23)16(10-14)19(21)25/h4-10,12,18,22-24H,2-3,11H2,1H3,(H2,21,25)
InChIKeyCGZWOSZLLCFYIB-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.27
Rot. Bonds8

About 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide

5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide (PubChem CID 12814711) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
PubChem CID12814711
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
SMILESCC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H23FN2O3/c1-12(2-3-13-4-7-15(20)8-5-13)22-11-18(24)14-6-9-17(23)16(10-14)19(21)25/h4-10,12,18,22-24H,2-3,11H2,1H3,(H2,21,25)
InChIKeyCGZWOSZLLCFYIB-UHFFFAOYSA-N
XLogP2.27
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 12814758
5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide
CID 54443827
2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
CID 13116906
2-hydroxy-5-[1-hydroxy-2-[4-(pyrimidin-5-ylmethoxy)butan-2-ylamino]ethyl]benzamide
CID 20505301
5-[2-(5,5-dimethoxyheptan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide;hydrochloride
CID 21389510
5-[2-[4-(4-chloro-N-methylanilino)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 54053048
5-[2-[3-(4-fluorophenyl)propylamino]-1-hydroxyethyl]-2-hydroxybenzoic acid
CID 21314019
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide
CID 21488920
5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide
CID 21488926
2-(2,3-dihydroxypropoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 21488921
2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 151436293

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide (CID 12814711) is 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide is CC(CCc1ccc(F)cc1)NCC(O)c1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide?
The InChIKey is CGZWOSZLLCFYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-12(2-3-13-4-7-15(20)8-5-13)22-11-18(24)14-6-9-17(23)16(10-14)19(21)25/h4-10,12,18,22-24H,2-3,11H2,1H3,(H2,21,25).
What are the key properties of 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide?
5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide has a molecular weight of 346.40 g/mol, XLogP of 2.27, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide is sourced from PubChem (CID 12814711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).