2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride

C16H24ClFN2O — CID 119766091

IUPAC2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCC(C)(CNC(=O)CNCC1CC1)c1ccccc1F.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-16(2,13-5-3-4-6-14(13)17)11-19-15(20)10-18-9-12-7-8-12;/h3-6,12,18H,7-11H2,1-2H3,(H,19,20);1H
InChIKeyZHESKAWJKMHOMT-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.64
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride (PubChem CID 119766091) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
PubChem CID119766091
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCC(C)(CNC(=O)CNCC1CC1)c1ccccc1F.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-16(2,13-5-3-4-6-14(13)17)11-19-15(20)10-18-9-12-7-8-12;/h3-6,12,18H,7-11H2,1-2H3,(H,19,20);1H
InChIKeyZHESKAWJKMHOMT-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrrolidine-3-carboxamide
CID 110246573
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid
CID 115218193
N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide
CID 51104213
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65107560
N-[2-(2-fluorophenyl)-2-methylpropyl]-2-morpholin-4-ylacetamide
CID 110444248
2-cyclohexyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599072
ethyl 1-[N-[2-(2-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156859
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 110445241
1-cyclopropyl-3-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)urea
CID 110913086

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride (CID 119766091) is 2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride is CC(C)(CNC(=O)CNCC1CC1)c1ccccc1F.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The InChIKey is ZHESKAWJKMHOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-16(2,13-5-3-4-6-14(13)17)11-19-15(20)10-18-9-12-7-8-12;/h3-6,12,18H,7-11H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 119766091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).