3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide

C11H15ClN2O3 — CID 102664929

IUPAC3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide
SMILESCOCCONCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-16-4-5-17-14-7-9-3-2-8(11(13)15)6-10(9)12/h2-3,6,14H,4-5,7H2,1H3,(H2,13,15)
InChIKeyAUWFGNJZIUZIBB-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.11
Rot. Bonds7

About 3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide

3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide (PubChem CID 102664929) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide
PubChem CID102664929
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide
SMILESCOCCONCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O3/c1-16-4-5-17-14-7-9-3-2-8(11(13)15)6-10(9)12/h2-3,6,14H,4-5,7H2,1H3,(H2,13,15)
InChIKeyAUWFGNJZIUZIBB-UHFFFAOYSA-N
XLogP1.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide
CID 102665027
3-chloro-4-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 102665012
3-chloro-4-[(3-propoxypropylamino)methyl]benzamide
CID 102664947
3-chloro-4-[[2-(2-methylpropoxy)ethylamino]methyl]benzamide
CID 102665152
3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide
CID 102665048
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
CID 102663918
3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 102664727
3-chloro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 102664053
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide
CID 102664294
3-chloro-4-[(2-phenylpropylamino)methyl]benzamide
CID 102665041

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide (CID 102664929) is 3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide is COCCONCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide?
The InChIKey is AUWFGNJZIUZIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-16-4-5-17-14-7-9-3-2-8(11(13)15)6-10(9)12/h2-3,6,14H,4-5,7H2,1H3,(H2,13,15).
What are the key properties of 3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide?
3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide has a molecular weight of 258.70 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide is sourced from PubChem (CID 102664929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).