3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride

C18H21ClF2N2O — CID 120611087

IUPAC3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
SMILESCCC(NC(=O)CCc1ccccc1N)c1ccc(F)cc1F.Cl
InChIInChI=1S/C18H20F2N2O.ClH/c1-2-17(14-9-8-13(19)11-15(14)20)22-18(23)10-7-12-5-3-4-6-16(12)21;/h3-6,8-9,11,17H,2,7,10,21H2,1H3,(H,22,23);1H
InChIKeySNERDYDKORBBSX-UHFFFAOYSA-N
MW354.83 g/mol
LogP4.17
Rot. Bonds6

About 3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride (PubChem CID 120611087) has the molecular formula C18H21ClF2N2O and a molecular weight of 354.83 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
PubChem CID120611087
Molecular FormulaC18H21ClF2N2O
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
SMILESCCC(NC(=O)CCc1ccccc1N)c1ccc(F)cc1F.Cl
InChIInChI=1S/C18H20F2N2O.ClH/c1-2-17(14-9-8-13(19)11-15(14)20)22-18(23)10-7-12-5-3-4-6-16(12)21;/h3-6,8-9,11,17H,2,7,10,21H2,1H3,(H,22,23);1H
InChIKeySNERDYDKORBBSX-UHFFFAOYSA-N
XLogP4.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28714073
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
CID 120609030
4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120592889
3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride
CID 120611695
3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119796287

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride (CID 120611087) is 3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride is CCC(NC(=O)CCc1ccccc1N)c1ccc(F)cc1F.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride?
The InChIKey is SNERDYDKORBBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O.ClH/c1-2-17(14-9-8-13(19)11-15(14)20)22-18(23)10-7-12-5-3-4-6-16(12)21;/h3-6,8-9,11,17H,2,7,10,21H2,1H3,(H,22,23);1H.
What are the key properties of 3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride has a molecular weight of 354.83 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120611087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).