N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride

C13H20Cl2N2O3 — CID 119405795

IUPACN-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
SMILESCOCCOc1ccc(Cl)cc1C(=O)NCCCN.Cl
InChIInChI=1S/C13H19ClN2O3.ClH/c1-18-7-8-19-12-4-3-10(14)9-11(12)13(17)16-6-2-5-15;/h3-4,9H,2,5-8,15H2,1H3,(H,16,17);1H
InChIKeyRGDCUBVJHXZUCT-UHFFFAOYSA-N
MW323.22 g/mol
LogP1.87
Rot. Bonds8

About N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride

N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride (PubChem CID 119405795) has the molecular formula C13H20Cl2N2O3 and a molecular weight of 323.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
PubChem CID119405795
Molecular FormulaC13H20Cl2N2O3
Molecular Weight323.22 g/mol
Exact Mass322.09
IUPAC NameN-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
SMILESCOCCOc1ccc(Cl)cc1C(=O)NCCCN.Cl
InChIInChI=1S/C13H19ClN2O3.ClH/c1-18-7-8-19-12-4-3-10(14)9-11(12)13(17)16-6-2-5-15;/h3-4,9H,2,5-8,15H2,1H3,(H,16,17);1H
InChIKeyRGDCUBVJHXZUCT-UHFFFAOYSA-N
XLogP1.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 118770271
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119405370
(2S)-2-amino-3-[4-[2-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]phenyl]propanoic acid
CID 70592948
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
2-butoxy-5-chlorobenzohydrazide
CID 54795706
4-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 120689709
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride (CID 119405795) is N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride is COCCOc1ccc(Cl)cc1C(=O)NCCCN.Cl.
What is the InChIKey of N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride?
The InChIKey is RGDCUBVJHXZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3.ClH/c1-18-7-8-19-12-4-3-10(14)9-11(12)13(17)16-6-2-5-15;/h3-4,9H,2,5-8,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride?
N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride has a molecular weight of 323.22 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119405795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).