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

C15H24ClFN2O — CID 119766073

IUPACN-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(C)(C)c1ccccc1F.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-15(2,12-7-4-5-8-13(12)16)11-18-14(19)9-6-10-17-3;/h4-5,7-8,17H,6,9-11H2,1-3H3,(H,18,19);1H
InChIKeyGODAHQAXFUTJFA-UHFFFAOYSA-N
MW302.82 g/mol
LogP2.64
Rot. Bonds7

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

N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119766073) has the molecular formula C15H24ClFN2O and a molecular weight of 302.82 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119766073
Molecular FormulaC15H24ClFN2O
Molecular Weight302.82 g/mol
Exact Mass302.16
IUPAC NameN-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(C)(C)c1ccccc1F.Cl
InChIInChI=1S/C15H23FN2O.ClH/c1-15(2,12-7-4-5-8-13(12)16)11-18-14(19)9-6-10-17-3;/h4-5,7-8,17H,6,9-11H2,1-3H3,(H,18,19);1H
InChIKeyGODAHQAXFUTJFA-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;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-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51103819
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682
3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610225
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
N-[3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 51103810
4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
CID 115155862
4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115155852
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 51103920
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119766091
2-(methylamino)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756879
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride (CID 119766073) is N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCC(C)(C)c1ccccc1F.Cl.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is GODAHQAXFUTJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O.ClH/c1-15(2,12-7-4-5-8-13(12)16)11-18-14(19)9-6-10-17-3;/h4-5,7-8,17H,6,9-11H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride?
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 302.82 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 N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119766073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).