N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide

C18H19FN2O — CID 68726599

IUPACN-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide
SMILESNCCN(C(=O)c1ccccc1-c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H19FN2O/c19-14-7-5-13(6-8-14)16-3-1-2-4-17(16)18(22)21(12-11-20)15-9-10-15/h1-8,15H,9-12,20H2
InChIKeySVTKMZCYGWTJFR-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.06
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide

N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide (PubChem CID 68726599) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide
PubChem CID68726599
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC NameN-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide
SMILESNCCN(C(=O)c1ccccc1-c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H19FN2O/c19-14-7-5-13(6-8-14)16-3-1-2-4-17(16)18(22)21(12-11-20)15-9-10-15/h1-8,15H,9-12,20H2
InChIKeySVTKMZCYGWTJFR-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide
CID 11960053
N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide
CID 11960135
N-(2-aminoethyl)-N-cyclopropyl-2-ethoxybenzamide
CID 61349951
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
bis[2-(4-fluorophenyl)phenyl]methanone
CID 141033453
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 4120636
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
CID 102874159
N-(2-aminoethyl)-N-cyclopropylquinoxaline-5-carboxamide
CID 104613988
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzamide
CID 102874150
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide
CID 102874207

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide (CID 68726599) is N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide is NCCN(C(=O)c1ccccc1-c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide?
The InChIKey is SVTKMZCYGWTJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-14-7-5-13(6-8-14)16-3-1-2-4-17(16)18(22)21(12-11-20)15-9-10-15/h1-8,15H,9-12,20H2.
What are the key properties of N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide?
N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide has a molecular weight of 298.36 g/mol, XLogP of 3.06, 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-cyclopropyl-2-(4-fluorophenyl)benzamide is sourced from PubChem (CID 68726599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).