N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide

C16H17FN2O2 — CID 107015784

IUPACN-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide
SMILESCCNCc1ccccc1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C16H17FN2O2/c1-2-18-10-11-6-3-4-8-13(11)19-16(21)15-12(17)7-5-9-14(15)20/h3-9,18,20H,2,10H2,1H3,(H,19,21)
InChIKeyHJUHDDWZUJSWBK-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide

N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 107015784) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide
PubChem CID107015784
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide
SMILESCCNCc1ccccc1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C16H17FN2O2/c1-2-18-10-11-6-3-4-8-13(11)19-16(21)15-12(17)7-5-9-14(15)20/h3-9,18,20H,2,10H2,1H3,(H,19,21)
InChIKeyHJUHDDWZUJSWBK-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 84586354
2-fluoro-6-hydroxy-N-(3-hydroxy-2-methylphenyl)benzamide
CID 107015430
N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
CID 84589201
2-fluoro-6-hydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 104916685
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
N-[2-(1-chloroethyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107016832
N-[2-(1-aminoethyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107014627
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-(2-ethylphenyl)-2-hydroxy-6-methoxybenzamide
CID 84579103
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide (CID 107015784) is N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide is CCNCc1ccccc1NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is HJUHDDWZUJSWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-18-10-11-6-3-4-8-13(11)19-16(21)15-12(17)7-5-9-14(15)20/h3-9,18,20H,2,10H2,1H3,(H,19,21).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide?
N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107015784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).