N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride

C14H22Cl2N2O2 — CID 119996312

IUPACN-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1C(=O)NCC(C)CN.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-3-6-19-13-5-4-11(15)7-12(13)14(18)17-9-10(2)8-16;/h4-5,7,10H,3,6,8-9,16H2,1-2H3,(H,17,18);1H
InChIKeyZLMZMHKPQRXYQJ-UHFFFAOYSA-N
MW321.25 g/mol
LogP2.88
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride

N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride (PubChem CID 119996312) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride
PubChem CID119996312
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC NameN-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1C(=O)NCC(C)CN.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-3-6-19-13-5-4-11(15)7-12(13)14(18)17-9-10(2)8-16;/h4-5,7,10H,3,6,8-9,16H2,1-2H3,(H,17,18);1H
InChIKeyZLMZMHKPQRXYQJ-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 120689709
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646
2-butoxy-5-chlorobenzohydrazide
CID 54795706
N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119405795
5-chloro-2-propoxybenzoyl chloride
CID 12863236
N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119996642
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 119996833
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride (CID 119996312) is N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride is CCCOc1ccc(Cl)cc1C(=O)NCC(C)CN.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride?
The InChIKey is ZLMZMHKPQRXYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2.ClH/c1-3-6-19-13-5-4-11(15)7-12(13)14(18)17-9-10(2)8-16;/h4-5,7,10H,3,6,8-9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride has a molecular weight of 321.25 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride is sourced from PubChem (CID 119996312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).