1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea

C16H16Cl2N2O — CID 110446838

IUPAC1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
SMILESCC(C)(NC(=O)Nc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-16(2,11-4-3-5-13(18)10-11)20-15(21)19-14-8-6-12(17)7-9-14/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyDSORPQPFKGFKFR-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.05
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea

1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea (PubChem CID 110446838) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
PubChem CID110446838
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
SMILESCC(C)(NC(=O)Nc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-16(2,11-4-3-5-13(18)10-11)20-15(21)19-14-8-6-12(17)7-9-14/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyDSORPQPFKGFKFR-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea
CID 90040437
N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216357
1-[2-(3-chlorophenyl)propan-2-yl]-3-prop-2-enylurea
CID 110490627
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-[2-(3-chlorophenyl)propan-2-yl]-3-(1H-1,2,4-triazol-5-yl)urea
CID 110490622
1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea
CID 70850941
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
CID 115621952
1-(4-tert-butylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 71462576
1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea
CID 113216348
1-[4-[(2S)-butan-2-yl]phenyl]-3-[2-[3-[2-[[4-[(2R)-butan-2-yl]phenyl]carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27235829
1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081845

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea (CID 110446838) is 1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea is CC(C)(NC(=O)Nc1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea?
The InChIKey is DSORPQPFKGFKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-16(2,11-4-3-5-13(18)10-11)20-15(21)19-14-8-6-12(17)7-9-14/h3-10H,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea?
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea has a molecular weight of 323.22 g/mol, XLogP of 5.05, 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-[2-(3-chlorophenyl)propan-2-yl]urea is sourced from PubChem (CID 110446838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).