N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide

C16H17FN2O2 — CID 107674367

IUPACN-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide
SMILESNCCN(Cc1ccccc1)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C16H17FN2O2/c17-15-10-13(20)6-7-14(15)16(21)19(9-8-18)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,18H2
InChIKeyYFOZGQMHIQJSQK-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.13
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide

N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide (PubChem CID 107674367) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide
PubChem CID107674367
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide
SMILESNCCN(Cc1ccccc1)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C16H17FN2O2/c17-15-10-13(20)6-7-14(15)16(21)19(9-8-18)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,18H2
InChIKeyYFOZGQMHIQJSQK-UHFFFAOYSA-N
XLogP2.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-chloroethyl)-2-fluoro-4-hydroxybenzamide
CID 107677531
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
CID 104859557
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
CID 61014053
N-benzyl-N-(2-bromoethyl)-2-fluoro-4-methylbenzamide
CID 80656052
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770
3-[ethyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674771
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
CID 104859489
N-(2-aminoethyl)-N-benzyl-3-iodobenzamide
CID 104859550
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide (CID 107674367) is N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide is NCCN(Cc1ccccc1)C(=O)c1ccc(O)cc1F.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide?
The InChIKey is YFOZGQMHIQJSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-15-10-13(20)6-7-14(15)16(21)19(9-8-18)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,18H2.
What are the key properties of N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide?
N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107674367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).