3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide

C13H12ClN3O2 — CID 83000242

IUPAC3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2cncc(Cl)c2)c(N)c1
InChIInChI=1S/C13H12ClN3O2/c1-16-13(18)8-2-3-12(11(15)4-8)19-10-5-9(14)6-17-7-10/h2-7H,15H2,1H3,(H,16,18)
InChIKeyCXFQZQOVNBDLLB-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.47
Rot. Bonds3

About 3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide

3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide (PubChem CID 83000242) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide
PubChem CID83000242
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2cncc(Cl)c2)c(N)c1
InChIInChI=1S/C13H12ClN3O2/c1-16-13(18)8-2-3-12(11(15)4-8)19-10-5-9(14)6-17-7-10/h2-7H,15H2,1H3,(H,16,18)
InChIKeyCXFQZQOVNBDLLB-UHFFFAOYSA-N
XLogP2.47
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.47
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-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237
3-amino-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
3-amino-4-(4-bromophenoxy)-N-methylbenzamide
CID 82999872
2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline
CID 64602701
3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
CID 82992637
3-amino-N-methyl-4-(4-propylphenoxy)benzamide
CID 82992638
1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanone
CID 64600412
3-amino-4-(3-cyanophenoxy)-N-methylbenzamide
CID 78984165
3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide
CID 83000096
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide
CID 103287831
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide (CID 83000242) is 3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide is CNC(=O)c1ccc(Oc2cncc(Cl)c2)c(N)c1.
What is the InChIKey of 3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide?
The InChIKey is CXFQZQOVNBDLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-16-13(18)8-2-3-12(11(15)4-8)19-10-5-9(14)6-17-7-10/h2-7H,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide?
3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide has a molecular weight of 277.71 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide is sourced from PubChem (CID 83000242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).