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

C13H11Cl2N3O — CID 63326386

IUPAC3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c1-7-2-3-17-6-11(7)18-13(19)8-4-9(14)12(15)10(16)5-8/h2-6H,16H2,1H3,(H,18,19)
InChIKeyHXWYURKEHIVQCL-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.53
Rot. Bonds2

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

3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide (PubChem CID 63326386) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide
PubChem CID63326386
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c1-7-2-3-17-6-11(7)18-13(19)8-4-9(14)12(15)10(16)5-8/h2-6H,16H2,1H3,(H,18,19)
InChIKeyHXWYURKEHIVQCL-UHFFFAOYSA-N
XLogP3.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.53
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

3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698144
5-amino-2-chloro-N-(4-methyl-3-pyridinyl)benzamide
CID 55202646
3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327399
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide
CID 61094545
3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
CID 62815869
3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
CID 61090403
2-fluoro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 55203428
3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63327302

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide (CID 63326386) is 3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide is Cc1ccncc1NC(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is HXWYURKEHIVQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-7-2-3-17-6-11(7)18-13(19)8-4-9(14)12(15)10(16)5-8/h2-6H,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide?
3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide has a molecular weight of 296.16 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 63326386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).