3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide

C12H14Cl2N2O2 — CID 114118479

IUPAC3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(N)c(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H14Cl2N2O2/c1-18-8-4-7(5-8)16-12(17)6-2-9(13)11(14)10(15)3-6/h2-3,7-8H,4-5,15H2,1H3,(H,16,17)
InChIKeyWETQFLRLRDTQSX-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide

3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide (PubChem CID 114118479) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide
PubChem CID114118479
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(N)c(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H14Cl2N2O2/c1-18-8-4-7(5-8)16-12(17)6-2-9(13)11(14)10(15)3-6/h2-3,7-8H,4-5,15H2,1H3,(H,16,17)
InChIKeyWETQFLRLRDTQSX-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,5-dichloro-N-cyclooctylbenzamide
CID 61090105
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
CID 104578392
5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide
CID 114120797
3-amino-4,5-dichloro-N-(1,1-dioxothian-3-yl)benzamide
CID 63924264
N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
CID 61095227
6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
CID 104578722
N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 104581692
3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 114117879
3-amino-4,5-dichloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80715634
3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide
CID 104600932
4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733696
3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358612

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide (CID 114118479) is 3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide is COC1CC(NC(=O)c2cc(N)c(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide?
The InChIKey is WETQFLRLRDTQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-18-8-4-7(5-8)16-12(17)6-2-9(13)11(14)10(15)3-6/h2-3,7-8H,4-5,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide?
3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide has a molecular weight of 289.16 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide is sourced from PubChem (CID 114118479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).