N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride

C13H19ClF2N2O — CID 119686258

IUPACN-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)c1ccc(F)cc1F.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-9(17-13(18)4-3-7-16-2)11-6-5-10(14)8-12(11)15;/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,17,18);1H
InChIKeyVAIZAPIKSSVONZ-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.56
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride

N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119686258) has the molecular formula C13H19ClF2N2O and a molecular weight of 292.76 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119686258
Molecular FormulaC13H19ClF2N2O
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)c1ccc(F)cc1F.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-9(17-13(18)4-3-7-16-2)11-6-5-10(14)8-12(11)15;/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,17,18);1H
InChIKeyVAIZAPIKSSVONZ-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686394
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-4-(methylamino)butanamide
CID 119902788
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119330268
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
tert-butyl N-[3-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]carbamate
CID 9225218
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 8732700
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide
CID 119330269
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride (CID 119686258) is N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NC(C)c1ccc(F)cc1F.Cl.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is VAIZAPIKSSVONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O.ClH/c1-9(17-13(18)4-3-7-16-2)11-6-5-10(14)8-12(11)15;/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 292.76 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119686258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).