3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide

C19H22FNO2 — CID 78866814

IUPAC3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
SMILESCc1ccc(CCC(=O)NCC(O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H22FNO2/c1-13-3-4-15(14(2)11-13)7-10-19(23)21-12-18(22)16-5-8-17(20)9-6-16/h3-6,8-9,11,18,22H,7,10,12H2,1-2H3,(H,21,23)
InChIKeyRYVAZMPFBINQJH-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.22
Rot. Bonds6

About 3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide

3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide (PubChem CID 78866814) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
PubChem CID78866814
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
SMILESCc1ccc(CCC(=O)NCC(O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H22FNO2/c1-13-3-4-15(14(2)11-13)7-10-19(23)21-12-18(22)16-5-8-17(20)9-6-16/h3-6,8-9,11,18,22H,7,10,12H2,1-2H3,(H,21,23)
InChIKeyRYVAZMPFBINQJH-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 110889436
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888819
3-[3-(2,4-dimethylphenyl)propanoylamino]-2-phenylpropanoic acid
CID 119254764
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide
CID 24639990
3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461043
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
CID 110899045
3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25339891
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110888958
3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide
CID 110882806

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide (CID 78866814) is 3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide is Cc1ccc(CCC(=O)NCC(O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
The InChIKey is RYVAZMPFBINQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13-3-4-15(14(2)11-13)7-10-19(23)21-12-18(22)16-5-8-17(20)9-6-16/h3-6,8-9,11,18,22H,7,10,12H2,1-2H3,(H,21,23).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide?
3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide has a molecular weight of 315.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 78866814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).