5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C11H11Cl2N5O — CID 107185300

IUPAC5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2N5O/c1-18(4-9-15-5-16-17-9)11(19)7-2-6(14)3-8(12)10(7)13/h2-3,5H,4,14H2,1H3,(H,15,16,17)
InChIKeyLKGXJPPFDQIOFY-UHFFFAOYSA-N
MW300.15 g/mol
LogP1.97
Rot. Bonds3

About 5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 107185300) has the molecular formula C11H11Cl2N5O and a molecular weight of 300.15 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID107185300
Molecular FormulaC11H11Cl2N5O
Molecular Weight300.15 g/mol
Exact Mass299.03
IUPAC Name5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2N5O/c1-18(4-9-15-5-16-17-9)11(19)7-2-6(14)3-8(12)10(7)13/h2-3,5H,4,14H2,1H3,(H,15,16,17)
InChIKeyLKGXJPPFDQIOFY-UHFFFAOYSA-N
XLogP1.97
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.97
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

5-amino-2-fluoro-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103296536
5-amino-2-(dimethylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512131
5-amino-2,3-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107185298
5-chloro-2-hydrazinyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64519313
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259
2-amino-6-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64517569
2,6-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64516867
3-chloro-6-hydrazinyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64518545
2,4,5-trifluoro-3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512254
4-bromo-N,2,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 146086220
4-amino-1-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide
CID 64512518
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 107185300) is 5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is CN(Cc1ncn[nH]1)C(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is LKGXJPPFDQIOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5O/c1-18(4-9-15-5-16-17-9)11(19)7-2-6(14)3-8(12)10(7)13/h2-3,5H,4,14H2,1H3,(H,15,16,17).
What are the key properties of 5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 300.15 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 107185300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).