2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide

C12H10Cl2N4O2 — CID 2808813

IUPAC2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide
SMILESCn1nccc1NC(=O)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N4O2/c1-18-9(5-6-15-18)16-12(20)17-11(19)10-7(13)3-2-4-8(10)14/h2-6H,1H3,(H2,16,17,19,20)
InChIKeyUSIOQFJPSCXDLF-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.69
Rot. Bonds2

About 2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide

2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide (PubChem CID 2808813) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide
PubChem CID2808813
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC Name2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide
SMILESCn1nccc1NC(=O)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N4O2/c1-18-9(5-6-15-18)16-12(20)17-11(19)10-7(13)3-2-4-8(10)14/h2-6H,1H3,(H2,16,17,19,20)
InChIKeyUSIOQFJPSCXDLF-UHFFFAOYSA-N
XLogP2.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide (CID 2808813) is 2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide is Cn1nccc1NC(=O)NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide?
The InChIKey is USIOQFJPSCXDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c1-18-9(5-6-15-18)16-12(20)17-11(19)10-7(13)3-2-4-8(10)14/h2-6H,1H3,(H2,16,17,19,20).
What are the key properties of 2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide?
2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide has a molecular weight of 313.14 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide is sourced from PubChem (CID 2808813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).