4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride

C14H22ClFN2O — CID 119318753

IUPAC4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
SMILESCC(C)(CNC(=O)CCCN)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-14(2,10-17-13(18)4-3-9-16)11-5-7-12(15)8-6-11;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18);1H
InChIKeySMJAKDVTOGACIE-UHFFFAOYSA-N
MW288.79 g/mol
LogP2.38
Rot. Bonds6

About 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride

4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride (PubChem CID 119318753) has the molecular formula C14H22ClFN2O and a molecular weight of 288.79 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
PubChem CID119318753
Molecular FormulaC14H22ClFN2O
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC Name4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
SMILESCC(C)(CNC(=O)CCCN)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-14(2,10-17-13(18)4-3-9-16)11-5-7-12(15)8-6-11;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18);1H
InChIKeySMJAKDVTOGACIE-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119318689
N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 115163181
4-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 110460825
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
CID 119796098
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544
methyl 3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174546
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591741
N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299566
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
methyl 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142658

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride (CID 119318753) is 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride is CC(C)(CNC(=O)CCCN)c1ccc(F)cc1.Cl.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride?
The InChIKey is SMJAKDVTOGACIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O.ClH/c1-14(2,10-17-13(18)4-3-9-16)11-5-7-12(15)8-6-11;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride?
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride has a molecular weight of 288.79 g/mol, XLogP of 2.38, 6 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-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride is sourced from PubChem (CID 119318753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).