1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea

C22H23ClN4O — CID 144796939

IUPAC1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea
SMILESCCN(CC)c1cc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)ccn1
InChIInChI=1S/C22H23ClN4O/c1-3-27(4-2)21-15-17(12-13-24-21)16-6-5-7-20(14-16)26-22(28)25-19-10-8-18(23)9-11-19/h5-15H,3-4H2,1-2H3,(H2,25,26,28)
InChIKeyQDNHDQDFXCACAE-UHFFFAOYSA-N
MW394.91 g/mol
LogP5.89
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea

1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea (PubChem CID 144796939) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea
PubChem CID144796939
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea
SMILESCCN(CC)c1cc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)ccn1
InChIInChI=1S/C22H23ClN4O/c1-3-27(4-2)21-15-17(12-13-24-21)16-6-5-7-20(14-16)26-22(28)25-19-10-8-18(23)9-11-19/h5-15H,3-4H2,1-2H3,(H2,25,26,28)
InChIKeyQDNHDQDFXCACAE-UHFFFAOYSA-N
XLogP5.89
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.91
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea
CID 50830215
1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea
CID 118716100
1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 135376255
1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
CID 135376465
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109171588
1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea
CID 10193666
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
2-(N-ethylanilino)-N-(3-phenylphenyl)acetamide
CID 13221983
1-(3-chloro-4-fluorophenyl)-3-[4-(diethylamino)phenyl]urea
CID 108991877
1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
CID 135376412
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea (CID 144796939) is 1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea is CCN(CC)c1cc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)ccn1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea?
The InChIKey is QDNHDQDFXCACAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-3-27(4-2)21-15-17(12-13-24-21)16-6-5-7-20(14-16)26-22(28)25-19-10-8-18(23)9-11-19/h5-15H,3-4H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea?
1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea has a molecular weight of 394.91 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea is sourced from PubChem (CID 144796939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).