1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea

C21H21ClN4O2 — CID 86947737

IUPAC1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea
SMILESCCC(C)(NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccccc1
InChIInChI=1S/C21H21ClN4O2/c1-3-21(2,15-7-5-4-6-8-15)24-20(27)23-16-9-11-17(12-10-16)28-19-14-13-18(22)25-26-19/h4-14H,3H2,1-2H3,(H2,23,24,27)
InChIKeyRMNZYEUVCDFBBY-UHFFFAOYSA-N
MW396.88 g/mol
LogP5.37
Rot. Bonds6

About 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea

1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea (PubChem CID 86947737) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea
PubChem CID86947737
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea
SMILESCCC(C)(NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccccc1
InChIInChI=1S/C21H21ClN4O2/c1-3-21(2,15-7-5-4-6-8-15)24-20(27)23-16-9-11-17(12-10-16)28-19-14-13-18(22)25-26-19/h4-14H,3H2,1-2H3,(H2,23,24,27)
InChIKeyRMNZYEUVCDFBBY-UHFFFAOYSA-N
XLogP5.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-cyanopropan-2-yl)phenyl]-3-(2-phenylbutan-2-yl)urea
CID 86899617
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
CID 115621952
6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide
CID 133313253
3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
CID 87882017
1-[3-(benzylsulfonylmethyl)phenyl]-3-(2-phenylbutan-2-yl)urea
CID 86962649
1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
CID 56920163
4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085773
N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
CID 13050847
N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide
CID 51064300
1-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]-2-phenylhydrazine
CID 169386146
1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one
CID 175426617

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea?
The IUPAC name of 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea (CID 86947737) is 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea?
The canonical SMILES for 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea is CCC(C)(NC(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccccc1.
What is the InChIKey of 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea?
The InChIKey is RMNZYEUVCDFBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-3-21(2,15-7-5-4-6-8-15)24-20(27)23-16-9-11-17(12-10-16)28-19-14-13-18(22)25-26-19/h4-14H,3H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea?
1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea has a molecular weight of 396.88 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea is sourced from PubChem (CID 86947737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).