5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide

C13H19ClN2O2 — CID 63010043

IUPAC5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)N(C)CCCOC
InChIInChI=1S/C13H19ClN2O2/c1-15-12-6-5-10(14)9-11(12)13(17)16(2)7-4-8-18-3/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyAFGGNEHDZSKOLB-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.49
Rot. Bonds6

About 5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide

5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide (PubChem CID 63010043) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide
PubChem CID63010043
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)N(C)CCCOC
InChIInChI=1S/C13H19ClN2O2/c1-15-12-6-5-10(14)9-11(12)13(17)16(2)7-4-8-18-3/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyAFGGNEHDZSKOLB-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-ethyl-N-(2-methoxyethyl)-2-(methylamino)benzamide
CID 55046766
5-chloro-N-(2-methoxyethyl)-N-methyl-2-(propylamino)benzamide
CID 62178653
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 62247658
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
4-fluoro-N-(3-methoxypropyl)-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 63009858
5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62171405
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methyl-2-(methylamino)benzamide
CID 62509551
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide
CID 62238401
5-chloro-N-methyl-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167870
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145
5-chloro-2-[3-methoxypropyl(methyl)amino]benzoic acid
CID 63007718

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide (CID 63010043) is 5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)N(C)CCCOC.
What is the InChIKey of 5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide?
The InChIKey is AFGGNEHDZSKOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-15-12-6-5-10(14)9-11(12)13(17)16(2)7-4-8-18-3/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of 5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide?
5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide has a molecular weight of 270.76 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 63010043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).