N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide

C16H16FNO3 — CID 111578636

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)NCC(O)c2ccccc2F)c1
InChIInChI=1S/C16H16FNO3/c1-10-6-11(8-12(19)7-10)16(21)18-9-15(20)13-4-2-3-5-14(13)17/h2-8,15,19-20H,9H2,1H3,(H,18,21)
InChIKeyISFHQGJTVWVUHI-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide (PubChem CID 111578636) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
PubChem CID111578636
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
SMILESCc1cc(O)cc(C(=O)NCC(O)c2ccccc2F)c1
InChIInChI=1S/C16H16FNO3/c1-10-6-11(8-12(19)7-10)16(21)18-9-15(20)13-4-2-3-5-14(13)17/h2-8,15,19-20H,9H2,1H3,(H,18,21)
InChIKeyISFHQGJTVWVUHI-UHFFFAOYSA-N
XLogP2.30
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 111566262
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578607
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
4-(ethylsulfanylmethyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565953
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide
CID 111565791
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide (CID 111578636) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide is Cc1cc(O)cc(C(=O)NCC(O)c2ccccc2F)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide?
The InChIKey is ISFHQGJTVWVUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10-6-11(8-12(19)7-10)16(21)18-9-15(20)13-4-2-3-5-14(13)17/h2-8,15,19-20H,9H2,1H3,(H,18,21).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide has a molecular weight of 289.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide is sourced from PubChem (CID 111578636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).