N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride

C9H12ClFN2O — CID 175851405

IUPACN-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
SMILESCl.NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C9H11FN2O.ClH/c10-8-3-1-2-7(6-8)9(13)12-5-4-11;/h1-3,6H,4-5,11H2,(H,12,13);1H
InChIKeyHFYLCWYHPNXOLQ-UHFFFAOYSA-N
MW218.66 g/mol
LogP0.94
Rot. Bonds3

About N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride

N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride (PubChem CID 175851405) has the molecular formula C9H12ClFN2O and a molecular weight of 218.66 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
PubChem CID175851405
Molecular FormulaC9H12ClFN2O
Molecular Weight218.66 g/mol
Exact Mass218.06
IUPAC NameN-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
SMILESCl.NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C9H11FN2O.ClH/c10-8-3-1-2-7(6-8)9(13)12-5-4-11;/h1-3,6H,4-5,11H2,(H,12,13);1H
InChIKeyHFYLCWYHPNXOLQ-UHFFFAOYSA-N
XLogP0.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3-fluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 175851417
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
3-fluoro-N-octadecylbenzamide
CID 91711883
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride (CID 175851405) is N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride is Cl.NCCNC(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride?
The InChIKey is HFYLCWYHPNXOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O.ClH/c10-8-3-1-2-7(6-8)9(13)12-5-4-11;/h1-3,6H,4-5,11H2,(H,12,13);1H.
What are the key properties of N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride?
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride has a molecular weight of 218.66 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride is sourced from PubChem (CID 175851405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).