3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide

C13H15Cl2NO3 — CID 78957615

IUPAC3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NCC2(C)COC2)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-13(6-19-7-13)5-16-12(17)8-3-9(14)11(18-2)10(15)4-8/h3-4H,5-7H2,1-2H3,(H,16,17)
InChIKeyQROUWGIBMHJOPT-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.77
Rot. Bonds4

About 3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide

3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 78957615) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID78957615
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NCC2(C)COC2)cc1Cl
InChIInChI=1S/C13H15Cl2NO3/c1-13(6-19-7-13)5-16-12(17)8-3-9(14)11(18-2)10(15)4-8/h3-4H,5-7H2,1-2H3,(H,16,17)
InChIKeyQROUWGIBMHJOPT-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[(3-methyloxetan-3-yl)methyl]-5-nitrobenzamide
CID 78956967
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 64866551
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957032
5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957154
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 134049590
3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 65112037
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 86284423
3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
CID 63294592

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 78957615) is 3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide is COc1c(Cl)cc(C(=O)NCC2(C)COC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is QROUWGIBMHJOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-13(6-19-7-13)5-16-12(17)8-3-9(14)11(18-2)10(15)4-8/h3-4H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 304.17 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 78957615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).