4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide

C12H14Cl2N2O2 — CID 113343145

IUPAC4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(Cl)c(N)c(Cl)c2)CCOC1
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2-3-18-6-12)16-11(17)7-4-8(13)10(15)9(14)5-7/h4-5H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyKBEPEZLDKZWYDG-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.48
Rot. Bonds2

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

4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide (PubChem CID 113343145) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide
PubChem CID113343145
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide
SMILESCC1(NC(=O)c2cc(Cl)c(N)c(Cl)c2)CCOC1
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2-3-18-6-12)16-11(17)7-4-8(13)10(15)9(14)5-7/h4-5H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyKBEPEZLDKZWYDG-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

6-amino-5-chloro-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 113338583
3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide
CID 103852243
3,4-dichloro-N-(3-methyloxolan-3-yl)-5-nitrobenzamide
CID 115769316
3,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 103909392
2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165
4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 82833099
5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769264
3-amino-5-bromo-N-(3-methyloxan-3-yl)benzamide
CID 114113463
4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 82833008
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
CID 122159233
3-amino-2,5-difluoro-N-(3-methyloxolan-3-yl)benzamide
CID 107121435
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide (CID 113343145) is 4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide is CC1(NC(=O)c2cc(Cl)c(N)c(Cl)c2)CCOC1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide?
The InChIKey is KBEPEZLDKZWYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-12(2-3-18-6-12)16-11(17)7-4-8(13)10(15)9(14)5-7/h4-5H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide?
4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide has a molecular weight of 289.16 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(3-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 113343145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).