5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide

C13H11Cl2N3O — CID 107183451

IUPAC5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C13H11Cl2N3O/c14-11-5-9(16)4-10(12(11)15)13(19)18-7-8-2-1-3-17-6-8/h1-6H,7,16H2,(H,18,19)
InChIKeyOGRQEADKNSTUSO-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.90
Rot. Bonds3

About 5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide

5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 107183451) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID107183451
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C13H11Cl2N3O/c14-11-5-9(16)4-10(12(11)15)13(19)18-7-8-2-1-3-17-6-8/h1-6H,7,16H2,(H,18,19)
InChIKeyOGRQEADKNSTUSO-UHFFFAOYSA-N
XLogP2.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.90
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

2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229457
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 61095317
5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 107185089
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide
CID 107185130
5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184699
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 62000615
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide (CID 107183451) is 5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is OGRQEADKNSTUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-11-5-9(16)4-10(12(11)15)13(19)18-7-8-2-1-3-17-6-8/h1-6H,7,16H2,(H,18,19).
What are the key properties of 5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide?
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 296.16 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 107183451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).