3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide

C12H16F2N2O — CID 119330684

IUPAC3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
SMILESCCC(NC(=O)CCN)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O/c1-2-11(16-12(17)5-6-15)9-4-3-8(13)7-10(9)14/h3-4,7,11H,2,5-6,15H2,1H3,(H,16,17)
InChIKeyDTECCLDIURKTGD-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.88
Rot. Bonds5

About 3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide

3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide (PubChem CID 119330684) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
PubChem CID119330684
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
SMILESCCC(NC(=O)CCN)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O/c1-2-11(16-12(17)5-6-15)9-4-3-8(13)7-10(9)14/h3-4,7,11H,2,5-6,15H2,1H3,(H,16,17)
InChIKeyDTECCLDIURKTGD-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
CID 120611087
4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120592889
3-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119342170
3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119796287
2-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methylpentanamide;hydrochloride
CID 119796320
4-(aminomethyl)-N-[1-(2,4-difluorophenyl)propyl]oxane-4-carboxamide
CID 120934203
4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide
CID 120593154
3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide
CID 119951958
3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119796283
1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
CID 115641478

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide?
The IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide (CID 119330684) is 3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide?
The canonical SMILES for 3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide is CCC(NC(=O)CCN)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide?
The InChIKey is DTECCLDIURKTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-2-11(16-12(17)5-6-15)9-4-3-8(13)7-10(9)14/h3-4,7,11H,2,5-6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide?
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide has a molecular weight of 242.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide is sourced from PubChem (CID 119330684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).