N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride

C18H21Cl3N2O — CID 119529441

IUPACN-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C18H20Cl2N2O.ClH/c1-12(9-14-7-8-15(19)10-16(14)20)18(23)22-11-17(21)13-5-3-2-4-6-13;/h2-8,10,12,17H,9,11,21H2,1H3,(H,22,23);1H
InChIKeyXQUJHNZEPXORCO-UHFFFAOYSA-N
MW387.74 g/mol
LogP4.41
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride

N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride (PubChem CID 119529441) has the molecular formula C18H21Cl3N2O and a molecular weight of 387.74 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
PubChem CID119529441
Molecular FormulaC18H21Cl3N2O
Molecular Weight387.74 g/mol
Exact Mass386.07
IUPAC NameN-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C18H20Cl2N2O.ClH/c1-12(9-14-7-8-15(19)10-16(14)20)18(23)22-11-17(21)13-5-3-2-4-6-13;/h2-8,10,12,17H,9,11,21H2,1H3,(H,22,23);1H
InChIKeyXQUJHNZEPXORCO-UHFFFAOYSA-N
XLogP4.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.74
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119630154
3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
CID 119503882
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
CID 86970189
N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 119527902
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119529498
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
CID 130467580
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride (CID 119529441) is N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride is CC(Cc1ccc(Cl)cc1Cl)C(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride?
The InChIKey is XQUJHNZEPXORCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O.ClH/c1-12(9-14-7-8-15(19)10-16(14)20)18(23)22-11-17(21)13-5-3-2-4-6-13;/h2-8,10,12,17H,9,11,21H2,1H3,(H,22,23);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride has a molecular weight of 387.74 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119529441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).