2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride

C18H28ClFN2O — CID 119724732

IUPAC2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
SMILESCC(C)(C)CC(NC(=O)CNCC1CC1)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-18(2,3)10-16(14-6-8-15(19)9-7-14)21-17(22)12-20-11-13-4-5-13;/h6-9,13,16,20H,4-5,10-12H2,1-3H3,(H,21,22);1H
InChIKeyIMGPXVNDBCSVJI-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.84
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride (PubChem CID 119724732) has the molecular formula C18H28ClFN2O and a molecular weight of 342.89 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
PubChem CID119724732
Molecular FormulaC18H28ClFN2O
Molecular Weight342.89 g/mol
Exact Mass342.19
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
SMILESCC(C)(C)CC(NC(=O)CNCC1CC1)c1ccc(F)cc1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-18(2,3)10-16(14-6-8-15(19)9-7-14)21-17(22)12-20-11-13-4-5-13;/h6-9,13,16,20H,4-5,10-12H2,1-3H3,(H,21,22);1H
InChIKeyIMGPXVNDBCSVJI-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920123
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119687041
2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 119716453
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-thiomorpholin-4-ylacetamide
CID 86889513
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 47044236
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea
CID 110896367
N-[4-[1-[[2-(cyclopropylmethylamino)acetyl]amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119744056
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724736
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899211
methyl 4-[[2-(cyclopropylmethylamino)acetyl]amino]-4-phenylbutanoate;hydrochloride
CID 119777938

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride (CID 119724732) is 2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride is CC(C)(C)CC(NC(=O)CNCC1CC1)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride?
The InChIKey is IMGPXVNDBCSVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O.ClH/c1-18(2,3)10-16(14-6-8-15(19)9-7-14)21-17(22)12-20-11-13-4-5-13;/h6-9,13,16,20H,4-5,10-12H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride has a molecular weight of 342.89 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride is sourced from PubChem (CID 119724732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).