N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C21H20ClN3O3 — CID 37401680

IUPACN-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC(C)COc1ccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-14(2)13-28-19-10-8-15(12-17(19)22)23-21(27)18-9-11-20(26)25(24-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,27)
InChIKeyZEMJYDLADNARFV-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.17
Rot. Bonds6

About N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 37401680) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID37401680
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCC(C)COc1ccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-14(2)13-28-19-10-8-15(12-17(19)22)23-21(27)18-9-11-20(26)25(24-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,27)
InChIKeyZEMJYDLADNARFV-UHFFFAOYSA-N
XLogP4.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55657959
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
N-(4-chloro-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 91642770
N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55581751
N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7934858
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide
CID 37408098
N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51941646

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 37401680) is N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide is CC(C)COc1ccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is ZEMJYDLADNARFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14(2)13-28-19-10-8-15(12-17(19)22)23-21(27)18-9-11-20(26)25(24-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,27).
What are the key properties of N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 37401680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).