N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride

C20H25Cl2N3O2 — CID 119529498

IUPACN-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C20H24ClN3O2.ClH/c1-13(2)18(24-19(25)15-8-10-16(21)11-9-15)20(26)23-12-17(22)14-6-4-3-5-7-14;/h3-11,13,17-18H,12,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyNBPKLXWBEBIDMW-UHFFFAOYSA-N
MW410.35 g/mol
LogP3.33
Rot. Bonds7

About N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride

N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride (PubChem CID 119529498) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
PubChem CID119529498
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC NameN-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C20H24ClN3O2.ClH/c1-13(2)18(24-19(25)15-8-10-16(21)11-9-15)20(26)23-12-17(22)14-6-4-3-5-7-14;/h3-11,13,17-18H,12,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyNBPKLXWBEBIDMW-UHFFFAOYSA-N
XLogP3.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride with MolForge

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Related Compounds

N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119527674
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(2-phenylsulfanylethylamino)butan-2-yl]benzamide
CID 31444424
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 18774967
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 95151348
4-chloro-N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78783056
4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
CID 7321021
4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74645871
4-chloro-N-[1-(3-hydroxybutylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 111429014
[(1S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2117468
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 2551732
4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4827657

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride?
The IUPAC name of N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride (CID 119529498) is N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride?
The canonical SMILES for N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride is CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride?
The InChIKey is NBPKLXWBEBIDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2.ClH/c1-13(2)18(24-19(25)15-8-10-16(21)11-9-15)20(26)23-12-17(22)14-6-4-3-5-7-14;/h3-11,13,17-18H,12,22H2,1-2H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride?
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride has a molecular weight of 410.35 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119529498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).