N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide

C16H16FNO2 — CID 64781649

IUPACN-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C16H16FNO2/c1-11-4-2-3-5-12(11)6-9-16(20)18-13-7-8-15(19)14(17)10-13/h2-5,7-8,10,19H,6,9H2,1H3,(H,18,20)
InChIKeyMVVDMXFMKJAKOL-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.41
Rot. Bonds4

About N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide

N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide (PubChem CID 64781649) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide
PubChem CID64781649
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C16H16FNO2/c1-11-4-2-3-5-12(11)6-9-16(20)18-13-7-8-15(19)14(17)10-13/h2-5,7-8,10,19H,6,9H2,1H3,(H,18,20)
InChIKeyMVVDMXFMKJAKOL-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504
N-(3-fluoro-4-hydroxyphenyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148151
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 110724040
N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
CID 62365496
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide
CID 110732701
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methylphenyl)propanamide
CID 110778945
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964034
4-[3-(2-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63651301
N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
CID 110731205

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide (CID 64781649) is N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide?
The InChIKey is MVVDMXFMKJAKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-4-2-3-5-12(11)6-9-16(20)18-13-7-8-15(19)14(17)10-13/h2-5,7-8,10,19H,6,9H2,1H3,(H,18,20).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide?
N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide has a molecular weight of 273.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 64781649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).