6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide

C14H13Cl2N3O — CID 61040940

IUPAC6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C14H13Cl2N3O/c1-9(8-10-4-2-3-5-11(10)15)17-14(20)12-6-7-13(16)19-18-12/h2-7,9H,8H2,1H3,(H,17,20)
InChIKeyNICDONOFYLQNKO-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.14
Rot. Bonds4

About 6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide

6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide (PubChem CID 61040940) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide
PubChem CID61040940
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C14H13Cl2N3O/c1-9(8-10-4-2-3-5-11(10)15)17-14(20)12-6-7-13(16)19-18-12/h2-7,9H,8H2,1H3,(H,17,20)
InChIKeyNICDONOFYLQNKO-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 55144973
6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109111563
4-(chloromethyl)-N-[1-(2-chlorophenyl)propan-2-yl]benzamide
CID 43697039
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 60859186
(2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate
CID 63840334
6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide
CID 62233452
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61041832
6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
CID 61041980
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide (CID 61040940) is 6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide is CC(Cc1ccccc1Cl)NC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide?
The InChIKey is NICDONOFYLQNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-9(8-10-4-2-3-5-11(10)15)17-14(20)12-6-7-13(16)19-18-12/h2-7,9H,8H2,1H3,(H,17,20).
What are the key properties of 6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide?
6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 61040940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).