4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride

C10H13ClF2N2O — CID 119262959

IUPAC4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O.ClH/c11-7-3-4-9(8(12)6-7)14-10(15)2-1-5-13;/h3-4,6H,1-2,5,13H2,(H,14,15);1H
InChIKeyZMIZDZPTYMPNNZ-UHFFFAOYSA-N
MW250.68 g/mol
LogP2.06
Rot. Bonds4

About 4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride

4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride (PubChem CID 119262959) has the molecular formula C10H13ClF2N2O and a molecular weight of 250.68 g/mol. Its IUPAC name is 4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
PubChem CID119262959
Molecular FormulaC10H13ClF2N2O
Molecular Weight250.68 g/mol
Exact Mass250.07
IUPAC Name4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2O.ClH/c11-7-3-4-9(8(12)6-7)14-10(15)2-1-5-13;/h3-4,6H,1-2,5,13H2,(H,14,15);1H
InChIKeyZMIZDZPTYMPNNZ-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119263253
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CID 119679598
4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119873547
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
2-(6-aminohexanoylamino)-5-fluorobenzoic acid
CID 61157607
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
CID 107611740
4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide
CID 39192900
3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28713220
4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride (CID 119262959) is 4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride is Cl.NCCCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride?
The InChIKey is ZMIZDZPTYMPNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O.ClH/c11-7-3-4-9(8(12)6-7)14-10(15)2-1-5-13;/h3-4,6H,1-2,5,13H2,(H,14,15);1H.
What are the key properties of 4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride?
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride has a molecular weight of 250.68 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride is sourced from PubChem (CID 119262959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).