3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

C13H17ClN2O3 — CID 104758375

IUPAC3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCOC1(CNC(=O)c2cccc(N)c2Cl)CCOC1
InChIInChI=1S/C13H17ClN2O3/c1-18-13(5-6-19-8-13)7-16-12(17)9-3-2-4-10(15)11(9)14/h2-4H,5-8,15H2,1H3,(H,16,17)
InChIKeyFNLLZUWANUSUGW-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (PubChem CID 104758375) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
PubChem CID104758375
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCOC1(CNC(=O)c2cccc(N)c2Cl)CCOC1
InChIInChI=1S/C13H17ClN2O3/c1-18-13(5-6-19-8-13)7-16-12(17)9-3-2-4-10(15)11(9)14/h2-4H,5-8,15H2,1H3,(H,16,17)
InChIKeyFNLLZUWANUSUGW-UHFFFAOYSA-N
XLogP1.46
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758296
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342
5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104708991
2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765708
1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea
CID 104762349
3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 114107092
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 104758335
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
CID 104764689

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (CID 104758375) is 3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is COC1(CNC(=O)c2cccc(N)c2Cl)CCOC1.
What is the InChIKey of 3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The InChIKey is FNLLZUWANUSUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-18-13(5-6-19-8-13)7-16-12(17)9-3-2-4-10(15)11(9)14/h2-4H,5-8,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide has a molecular weight of 284.74 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 104758375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).