N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide

C20H18ClN3O2 — CID 51949577

IUPACN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H18ClN3O2/c1-14(13-15-7-9-16(21)10-8-15)22-20(26)18-11-12-19(25)24(23-18)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,22,26)/t14-/m1/s1
InChIKeyCLWNLIQVAQGWKA-CQSZACIVSA-N
MW367.84 g/mol
LogP3.25
Rot. Bonds5

About N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 51949577) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID51949577
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H18ClN3O2/c1-14(13-15-7-9-16(21)10-8-15)22-20(26)18-11-12-19(25)24(23-18)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,22,26)/t14-/m1/s1
InChIKeyCLWNLIQVAQGWKA-CQSZACIVSA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 51949577) is N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide is C[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is CLWNLIQVAQGWKA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-14(13-15-7-9-16(21)10-8-15)22-20(26)18-11-12-19(25)24(23-18)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,22,26)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 51949577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).