N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide

C17H19FN2O — CID 63047882

IUPACN-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C17H19FN2O/c1-13-7-8-15(18)11-16(13)17(21)20(10-9-19)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3
InChIKeyMCOQROHNAOSUKG-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.74
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide

N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide (PubChem CID 63047882) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
PubChem CID63047882
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C17H19FN2O/c1-13-7-8-15(18)11-16(13)17(21)20(10-9-19)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3
InChIKeyMCOQROHNAOSUKG-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
CID 104859557
N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide
CID 120648399
N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide
CID 80655955
N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide
CID 107674367
N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
CID 61014053
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298
N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
CID 104859578
N-benzyl-N-(2-bromoethyl)-5-chloro-2-methylbenzamide
CID 82875926
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884347
N-benzyl-N-(2-hydroxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107027966

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide (CID 63047882) is N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)N(CCN)Cc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide?
The InChIKey is MCOQROHNAOSUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13-7-8-15(18)11-16(13)17(21)20(10-9-19)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide?
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 63047882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).