5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide

C12H8Cl3N3O — CID 107185676

IUPAC5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)Nc2ccnc(Cl)c2)c1
InChIInChI=1S/C12H8Cl3N3O/c13-9-4-6(16)3-8(11(9)15)12(19)18-7-1-2-17-10(14)5-7/h1-5H,16H2,(H,17,18,19)
InChIKeyMXGJJTYGHMIFNC-UHFFFAOYSA-N
MW316.58 g/mol
LogP3.88
Rot. Bonds2

About 5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide

5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide (PubChem CID 107185676) has the molecular formula C12H8Cl3N3O and a molecular weight of 316.58 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide
PubChem CID107185676
Molecular FormulaC12H8Cl3N3O
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)Nc2ccnc(Cl)c2)c1
InChIInChI=1S/C12H8Cl3N3O/c13-9-4-6(16)3-8(11(9)15)12(19)18-7-1-2-17-10(14)5-7/h1-5H,16H2,(H,17,18,19)
InChIKeyMXGJJTYGHMIFNC-UHFFFAOYSA-N
XLogP3.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide
CID 102705824
5-amino-2,3-dichloro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 107185778
5-amino-N-(4-bromo-3-methylphenyl)-2,3-dichlorobenzamide
CID 107183354
5-amino-2,3-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 107185680
5-amino-2,3-dichloro-N-(3-methoxyphenyl)benzamide
CID 107183164
5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
CID 107183181
5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide
CID 107185377
5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide
CID 107183626
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287
N-(2-chloro-4-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 114053486
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
5-amino-2,3-dichloro-N-(2-chloro-5-methylphenyl)benzamide
CID 107624082

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide (CID 107185676) is 5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide is Nc1cc(Cl)c(Cl)c(C(=O)Nc2ccnc(Cl)c2)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide?
The InChIKey is MXGJJTYGHMIFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3O/c13-9-4-6(16)3-8(11(9)15)12(19)18-7-1-2-17-10(14)5-7/h1-5H,16H2,(H,17,18,19).
What are the key properties of 5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide?
5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide has a molecular weight of 316.58 g/mol, XLogP of 3.88, 2 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-(2-chloro-4-pyridinyl)benzamide is sourced from PubChem (CID 107185676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).