N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide

C16H16FNO2 — CID 122546561

IUPACN-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide
SMILESCCc1cc(CO)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-2-12-9-11(10-19)7-8-15(12)18-16(20)13-5-3-4-6-14(13)17/h3-9,19H,2,10H2,1H3,(H,18,20)
InChIKeyIYZRJQCVXDGSCF-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.13
Rot. Bonds4

About N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide

N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide (PubChem CID 122546561) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide
PubChem CID122546561
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide
SMILESCCc1cc(CO)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-2-12-9-11(10-19)7-8-15(12)18-16(20)13-5-3-4-6-14(13)17/h3-9,19H,2,10H2,1H3,(H,18,20)
InChIKeyIYZRJQCVXDGSCF-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-[4-[(2,6-diethylphenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893361
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
2-(ethylamino)-N-(2-fluorophenyl)benzamide
CID 55042608
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide
CID 39185468

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide (CID 122546561) is N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide is CCc1cc(CO)ccc1NC(=O)c1ccccc1F.
What is the InChIKey of N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide?
The InChIKey is IYZRJQCVXDGSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-2-12-9-11(10-19)7-8-15(12)18-16(20)13-5-3-4-6-14(13)17/h3-9,19H,2,10H2,1H3,(H,18,20).
What are the key properties of N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide?
N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(hydroxymethyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 122546561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).