5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide

C13H19ClN2O3 — CID 82994768

IUPAC5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
SMILESCOCCNCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O3/c1-18-8-7-15-5-6-16-13(17)11-9-10(14)3-4-12(11)19-2/h3-4,9,15H,5-8H2,1-2H3,(H,16,17)
InChIKeyVDMXDMUHZCEGQP-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.31
Rot. Bonds8

About 5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide (PubChem CID 82994768) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
PubChem CID82994768
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
SMILESCOCCNCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O3/c1-18-8-7-15-5-6-16-13(17)11-9-10(14)3-4-12(11)19-2/h3-4,9,15H,5-8H2,1-2H3,(H,16,17)
InChIKeyVDMXDMUHZCEGQP-UHFFFAOYSA-N
XLogP1.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.31
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

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CID 62659575
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
CID 114297830
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108572251
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide (CID 82994768) is 5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide is COCCNCCNC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The InChIKey is VDMXDMUHZCEGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-18-8-7-15-5-6-16-13(17)11-9-10(14)3-4-12(11)19-2/h3-4,9,15H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide has a molecular weight of 286.76 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide is sourced from PubChem (CID 82994768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).