1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea

C19H13Cl3N2O — CID 135376465

IUPAC1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H13Cl3N2O/c20-13-7-9-14(10-8-13)23-19(25)24-15-4-1-3-12(11-15)18-16(21)5-2-6-17(18)22/h1-11H,(H2,23,24,25)
InChIKeyRTFUWYINTKWQNH-UHFFFAOYSA-N
MW391.69 g/mol
LogP6.96
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea (PubChem CID 135376465) has the molecular formula C19H13Cl3N2O and a molecular weight of 391.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
PubChem CID135376465
Molecular FormulaC19H13Cl3N2O
Molecular Weight391.69 g/mol
Exact Mass390.01
IUPAC Name1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H13Cl3N2O/c20-13-7-9-14(10-8-13)23-19(25)24-15-4-1-3-12(11-15)18-16(21)5-2-6-17(18)22/h1-11H,(H2,23,24,25)
InChIKeyRTFUWYINTKWQNH-UHFFFAOYSA-N
XLogP6.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.69
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

CID 123176042
CID 123176042
1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
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CID 140731858
1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
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1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea
CID 10193666
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CID 46377439

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea (CID 135376465) is 1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea?
The InChIKey is RTFUWYINTKWQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O/c20-13-7-9-14(10-8-13)23-19(25)24-15-4-1-3-12(11-15)18-16(21)5-2-6-17(18)22/h1-11H,(H2,23,24,25).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea has a molecular weight of 391.69 g/mol, XLogP of 6.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea is sourced from PubChem (CID 135376465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).