3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride

C16H24ClFN2O — CID 90483417

IUPAC3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
SMILESCCCN(CCC(=O)Nc1cccc(F)c1)CC1CC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-2-9-19(12-13-6-7-13)10-8-16(20)18-15-5-3-4-14(17)11-15;/h3-5,11,13H,2,6-10,12H2,1H3,(H,18,20);1H
InChIKeyYJQUUSBTAKNNLI-UHFFFAOYSA-N
MW314.83 g/mol
LogP3.70
Rot. Bonds8

About 3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride

3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride (PubChem CID 90483417) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
PubChem CID90483417
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
SMILESCCCN(CCC(=O)Nc1cccc(F)c1)CC1CC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-2-9-19(12-13-6-7-13)10-8-16(20)18-15-5-3-4-14(17)11-15;/h3-5,11,13H,2,6-10,12H2,1H3,(H,18,20);1H
InChIKeyYJQUUSBTAKNNLI-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;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

2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
CID 43656451
3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62618352
N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide
CID 2902696
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632
N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955514
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 61424662
3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide
CID 86885988
2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide
CID 86910871
3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
CID 126824367
N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43587980

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride (CID 90483417) is 3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride is CCCN(CCC(=O)Nc1cccc(F)c1)CC1CC1.Cl.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride?
The InChIKey is YJQUUSBTAKNNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-2-9-19(12-13-6-7-13)10-8-16(20)18-15-5-3-4-14(17)11-15;/h3-5,11,13H,2,6-10,12H2,1H3,(H,18,20);1H.
What are the key properties of 3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride?
3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 90483417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).