N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride

C16H26Cl2N4O2 — CID 119626864

IUPACN-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl.Cl
InChIInChI=1S/C16H25ClN4O2.ClH/c1-15(2,3)21-14(23)20-10-6-7-12(17)11(8-10)13(22)19-9-16(4,5)18;/h6-8H,9,18H2,1-5H3,(H,19,22)(H2,20,21,23);1H
InChIKeyLZDKARWXCYKCDS-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.15
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride

N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride (PubChem CID 119626864) has the molecular formula C16H26Cl2N4O2 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
PubChem CID119626864
Molecular FormulaC16H26Cl2N4O2
Molecular Weight377.32 g/mol
Exact Mass376.14
IUPAC NameN-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl.Cl
InChIInChI=1S/C16H25ClN4O2.ClH/c1-15(2,3)21-14(23)20-10-6-7-12(17)11(8-10)13(22)19-9-16(4,5)18;/h6-8H,9,18H2,1-5H3,(H,19,22)(H2,20,21,23);1H
InChIKeyLZDKARWXCYKCDS-UHFFFAOYSA-N
XLogP3.15
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-(tert-butylcarbamoylamino)-2-chloro-N-[2-(ethylamino)ethyl]benzamide
CID 119505718
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
N-[(2S)-1-aminopropan-2-yl]-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride
CID 120505174
7-[[5-(tert-butylcarbamoylamino)-2-chlorobenzoyl]amino]heptanoic acid
CID 119227411
2-[[5-(tert-butylcarbamoylamino)-2-chlorobenzoyl]-methylamino]acetic acid
CID 119172148
N-(2-amino-2-methylpropyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119629541
N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide
CID 119419296
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534483
5-(tert-butylcarbamoylamino)-2-chloro-N-[(4-methylquinazolin-2-yl)methyl]benzamide
CID 166213939
N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide
CID 119644009
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119644007

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride (CID 119626864) is N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride is CC(C)(N)CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride?
The InChIKey is LZDKARWXCYKCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2.ClH/c1-15(2,3)21-14(23)20-10-6-7-12(17)11(8-10)13(22)19-9-16(4,5)18;/h6-8H,9,18H2,1-5H3,(H,19,22)(H2,20,21,23);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride has a molecular weight of 377.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119626864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).