4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride

C14H21ClF2N2O2 — CID 120592889

IUPAC4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride
SMILESCCC(NC(=O)CC(CN)OC)c1ccc(F)cc1F.Cl
InChIInChI=1S/C14H20F2N2O2.ClH/c1-3-13(11-5-4-9(15)6-12(11)16)18-14(19)7-10(8-17)20-2;/h4-6,10,13H,3,7-8,17H2,1-2H3,(H,18,19);1H
InChIKeyZCAZLLAZHQXDFF-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.32
Rot. Bonds7

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

4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120592889) has the molecular formula C14H21ClF2N2O2 and a molecular weight of 322.78 g/mol. Its IUPAC name is 4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride
PubChem CID120592889
Molecular FormulaC14H21ClF2N2O2
Molecular Weight322.78 g/mol
Exact Mass322.13
IUPAC Name4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride
SMILESCCC(NC(=O)CC(CN)OC)c1ccc(F)cc1F.Cl
InChIInChI=1S/C14H20F2N2O2.ClH/c1-3-13(11-5-4-9(15)6-12(11)16)18-14(19)7-10(8-17)20-2;/h4-6,10,13H,3,7-8,17H2,1-2H3,(H,18,19);1H
InChIKeyZCAZLLAZHQXDFF-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide
CID 120593154
2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide
CID 119951958
3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide
CID 81075854
3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
CID 120611087
4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide
CID 120591938
2-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methylpentanamide;hydrochloride
CID 119796320
N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634751
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate
CID 65234652

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride (CID 120592889) is 4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride is CCC(NC(=O)CC(CN)OC)c1ccc(F)cc1F.Cl.
What is the InChIKey of 4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is ZCAZLLAZHQXDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2.ClH/c1-3-13(11-5-4-9(15)6-12(11)16)18-14(19)7-10(8-17)20-2;/h4-6,10,13H,3,7-8,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 322.78 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120592889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).