N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide

C12H17ClN2O2 — CID 106503278

IUPACN-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)ccc1Cl)C(C)(C)CN
InChIInChI=1S/C12H17ClN2O2/c1-12(2,7-14)15(3)11(17)9-6-8(16)4-5-10(9)13/h4-6,16H,7,14H2,1-3H3
InChIKeyJEGZFLWRGGAJHK-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.85
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide

N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide (PubChem CID 106503278) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide
PubChem CID106503278
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)ccc1Cl)C(C)(C)CN
InChIInChI=1S/C12H17ClN2O2/c1-12(2,7-14)15(3)11(17)9-6-8(16)4-5-10(9)13/h4-6,16H,7,14H2,1-3H3
InChIKeyJEGZFLWRGGAJHK-UHFFFAOYSA-N
XLogP1.85
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106499987
2-chloro-5-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 106500873
2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide
CID 106500987
2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 106502176
N-(1-amino-2-methylpropan-2-yl)-N-methylbenzamide
CID 82507200
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106502689
2-chloro-5-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 106501816
5-hydroxy-N-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide
CID 102741853
N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 106501594
2-chloro-5-hydroxybenzamide
CID 57422942

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide (CID 106503278) is N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide is CN(C(=O)c1cc(O)ccc1Cl)C(C)(C)CN.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide?
The InChIKey is JEGZFLWRGGAJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-12(2,7-14)15(3)11(17)9-6-8(16)4-5-10(9)13/h4-6,16H,7,14H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide?
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide has a molecular weight of 256.73 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide is sourced from PubChem (CID 106503278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).