1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea

C22H20Cl2N2O — CID 70850941

IUPAC1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea
SMILESCC(C)(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H20Cl2N2O/c1-22(2,26-21(27)25-18-11-12-19(23)20(24)14-18)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-14H,1-2H3,(H2,25,26,27)
InChIKeyCAHJASPGRIXFJP-UHFFFAOYSA-N
MW399.32 g/mol
LogP6.72
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea

1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea (PubChem CID 70850941) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea
PubChem CID70850941
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea
SMILESCC(C)(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H20Cl2N2O/c1-22(2,26-21(27)25-18-11-12-19(23)20(24)14-18)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-14H,1-2H3,(H2,25,26,27)
InChIKeyCAHJASPGRIXFJP-UHFFFAOYSA-N
XLogP6.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
1-[2-(3-acetylphenyl)propan-2-yl]-3-(3-amino-4-chlorophenyl)urea
CID 90063329
1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea
CID 118259622
N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216357
2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 43163255
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]propan-2-yl]urea
CID 46916985
1-(2,3-dihydro-1H-inden-5-yl)-3-[2-[3-[2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]urea
CID 27060599
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea
CID 90040437
2-chloro-N,N-di(propan-2-yl)-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
CID 73296950
2-chloro-5-[2-[3-(N-methoxy-C-methylcarbonimidoyl)phenyl]propan-2-ylcarbamoylamino]benzamide
CID 78075223
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-chlorophenyl)propan-2-yl]urea
CID 113216338

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea (CID 70850941) is 1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea is CC(C)(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea?
The InChIKey is CAHJASPGRIXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c1-22(2,26-21(27)25-18-11-12-19(23)20(24)14-18)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-14H,1-2H3,(H2,25,26,27).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea?
1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea has a molecular weight of 399.32 g/mol, XLogP of 6.72, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea is sourced from PubChem (CID 70850941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).