3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide

C13H19ClN2O2 — CID 102665048

IUPAC3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide
SMILESCOC(C)(C)CNCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-13(2,18-3)8-16-7-10-5-4-9(12(15)17)6-11(10)14/h4-6,16H,7-8H2,1-3H3,(H2,15,17)
InChIKeyFXRZPGSWPDLQHL-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.95
Rot. Bonds6

About 3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide

3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide (PubChem CID 102665048) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide
PubChem CID102665048
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide
SMILESCOC(C)(C)CNCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-13(2,18-3)8-16-7-10-5-4-9(12(15)17)6-11(10)14/h4-6,16H,7-8H2,1-3H3,(H2,15,17)
InChIKeyFXRZPGSWPDLQHL-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
3-chloro-4-[(2-methoxyethoxyamino)methyl]benzamide
CID 102664929
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
3-chloro-4-[[[3-(2-methoxyethylamino)-3-oxopropyl]amino]methyl]benzamide
CID 102665027
3-chloro-4-[(3-propoxypropylamino)methyl]benzamide
CID 102664947
3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide
CID 102665002
3-chloro-4-[[2-(2-methylpropoxy)ethylamino]methyl]benzamide
CID 102665152
4-[(but-3-ynylamino)methyl]-3-chlorobenzamide
CID 102664571
4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
CID 102665063
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
CID 102663918
3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 106133041
3-chloro-4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]benzamide
CID 102664463

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide (CID 102665048) is 3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide is COC(C)(C)CNCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide?
The InChIKey is FXRZPGSWPDLQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,18-3)8-16-7-10-5-4-9(12(15)17)6-11(10)14/h4-6,16H,7-8H2,1-3H3,(H2,15,17).
What are the key properties of 3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide?
3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide has a molecular weight of 270.76 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide is sourced from PubChem (CID 102665048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).