N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride

C20H23ClF2N2O2 — CID 120649599

IUPACN-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)CCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O2.ClH/c21-16-7-8-17(18(22)13-16)19(25)9-10-20(26)24(12-4-11-23)14-15-5-2-1-3-6-15;/h1-3,5-8,13H,4,9-12,14,23H2;1H
InChIKeyHRTNGURJTBSFHZ-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.73
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride (PubChem CID 120649599) has the molecular formula C20H23ClF2N2O2 and a molecular weight of 396.87 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
PubChem CID120649599
Molecular FormulaC20H23ClF2N2O2
Molecular Weight396.87 g/mol
Exact Mass396.14
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)CCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O2.ClH/c21-16-7-8-17(18(22)13-16)19(25)9-10-20(26)24(12-4-11-23)14-15-5-2-1-3-6-15;/h1-3,5-8,13H,4,9-12,14,23H2;1H
InChIKeyHRTNGURJTBSFHZ-UHFFFAOYSA-N
XLogP3.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;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-(2,4-difluorophenyl)-4-phenylbutan-1-one
CID 63084036
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]-4-fluorobenzamide
CID 120649087
N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride
CID 120649975
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
[2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 23988753
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 78838061
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-4-thiophen-2-ylbutanamide;hydrochloride
CID 120649485
N-(3-aminopropyl)-N-benzyl-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
CID 120649371
N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide
CID 120649399

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride (CID 120649599) is N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)CCC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
The InChIKey is HRTNGURJTBSFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2.ClH/c21-16-7-8-17(18(22)13-16)19(25)9-10-20(26)24(12-4-11-23)14-15-5-2-1-3-6-15;/h1-3,5-8,13H,4,9-12,14,23H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride has a molecular weight of 396.87 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 120649599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).