N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride

C13H18Cl2N2O2 — CID 119617277

IUPACN-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(Cl)ccc1C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-18-12-6-9(14)4-5-10(12)13(17)16-11(7-15)8-2-3-8;/h4-6,8,11H,2-3,7,15H2,1H3,(H,16,17);1H
InChIKeyVXFKIZLMHZEVBF-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.24
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride (PubChem CID 119617277) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
PubChem CID119617277
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(Cl)ccc1C(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-18-12-6-9(14)4-5-10(12)13(17)16-11(7-15)8-2-3-8;/h4-6,8,11H,2-3,7,15H2,1H3,(H,16,17);1H
InChIKeyVXFKIZLMHZEVBF-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
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N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride
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N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
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N-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide
CID 63298974
N-(2-amino-1-cyclopropylethyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119612673
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
N-(2-amino-1-cyclopropylethyl)-2-ethoxybenzamide;hydrochloride
CID 119616625
N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride
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CID 65188786

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride (CID 119617277) is N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride is COc1cc(Cl)ccc1C(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride?
The InChIKey is VXFKIZLMHZEVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c1-18-12-6-9(14)4-5-10(12)13(17)16-11(7-15)8-2-3-8;/h4-6,8,11H,2-3,7,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride has a molecular weight of 305.20 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119617277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).