N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide

C15H15FN2O — CID 28768548

IUPACN-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
SMILESNCCN(C(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C15H15FN2O/c16-13-6-4-5-12(11-13)15(19)18(10-9-17)14-7-2-1-3-8-14/h1-8,11H,9-10,17H2
InChIKeyLNNUYQIJPAAULR-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.43
Rot. Bonds4

About N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide

N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide (PubChem CID 28768548) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
PubChem CID28768548
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
SMILESNCCN(C(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C15H15FN2O/c16-13-6-4-5-12(11-13)15(19)18(10-9-17)14-7-2-1-3-8-14/h1-8,11H,9-10,17H2
InChIKeyLNNUYQIJPAAULR-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3-fluoro-N-(4-fluorophenyl)benzamide
CID 28769279
3-(3-fluoro-N-(3-fluorobenzoyl)anilino)propanoic acid
CID 82321619
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 28769132
N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
CID 28769273
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide
CID 62679271
N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide
CID 24702771
1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide?
The IUPAC name of N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide (CID 28768548) is N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide is NCCN(C(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide?
The InChIKey is LNNUYQIJPAAULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-13-6-4-5-12(11-13)15(19)18(10-9-17)14-7-2-1-3-8-14/h1-8,11H,9-10,17H2.
What are the key properties of N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide?
N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide has a molecular weight of 258.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide is sourced from PubChem (CID 28768548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).