benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium

C21H26ClN2O+ — CID 4198096

IUPACbenzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](Cc1ccccc1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c1-24(15-16-7-3-2-4-8-16)20(17-11-13-18(22)14-12-17)21(25)23-19-9-5-6-10-19/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3,(H,23,25)/p+1
InChIKeyAHMNWTNXYSXUHZ-UHFFFAOYSA-O
MW357.91 g/mol
LogP3.15
Rot. Bonds6

About benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium

benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium (PubChem CID 4198096) has the molecular formula C21H26ClN2O+ and a molecular weight of 357.91 g/mol. Its IUPAC name is benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Namebenzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium
PubChem CID4198096
Molecular FormulaC21H26ClN2O+
Molecular Weight357.91 g/mol
Exact Mass357.17
IUPAC Namebenzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](Cc1ccccc1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c1-24(15-16-7-3-2-4-8-16)20(17-11-13-18(22)14-12-17)21(25)23-19-9-5-6-10-19/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3,(H,23,25)/p+1
InChIKeyAHMNWTNXYSXUHZ-UHFFFAOYSA-O
XLogP3.15
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8540301
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium
CID 8635750
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
CID 3668552
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 40931957
(2S)-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 100504223
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100603817

Frequently Asked Questions

What is the IUPAC name of benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium (CID 4198096) is benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium is C[NH+](Cc1ccccc1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium?
The InChIKey is AHMNWTNXYSXUHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25ClN2O/c1-24(15-16-7-3-2-4-8-16)20(17-11-13-18(22)14-12-17)21(25)23-19-9-5-6-10-19/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3,(H,23,25)/p+1.
What are the key properties of benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium?
benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium has a molecular weight of 357.91 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 4198096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).