N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide

C16H17FN2O2 — CID 107013078

IUPACN-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1c(O)cccc1F
InChIInChI=1S/C16H17FN2O2/c1-2-19(10-11-6-8-12(18)9-7-11)16(21)15-13(17)4-3-5-14(15)20/h3-9,20H,2,10,18H2,1H3
InChIKeyUZRXMCOWASOBLQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.78
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide

N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide (PubChem CID 107013078) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide
PubChem CID107013078
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1c(O)cccc1F
InChIInChI=1S/C16H17FN2O2/c1-2-19(10-11-6-8-12(18)9-7-11)16(21)15-13(17)4-3-5-14(15)20/h3-9,20H,2,10,18H2,1H3
InChIKeyUZRXMCOWASOBLQ-UHFFFAOYSA-N
XLogP2.78
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82809597
N-ethyl-2-fluoro-6-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104918138
N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107013042
N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 104917550
N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide
CID 43458715
N-[(4-aminophenyl)methyl]-3-bromo-N-ethyl-4-fluorobenzamide
CID 107948752
N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide
CID 104785376
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
N-[(4-aminophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 43458696
N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide
CID 104917096
N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
CID 43458689
N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015209

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide (CID 107013078) is N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide is CCN(Cc1ccc(N)cc1)C(=O)c1c(O)cccc1F.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide?
The InChIKey is UZRXMCOWASOBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-19(10-11-6-8-12(18)9-7-11)16(21)15-13(17)4-3-5-14(15)20/h3-9,20H,2,10,18H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide?
N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107013078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).