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

C17H19ClN2O — CID 172617530

IUPAC1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
SMILESCC(C)c1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(2)14-5-3-13(4-6-14)11-19-17(21)20-16-9-7-15(18)8-10-16/h3-10,12H,11H2,1-2H3,(H2,19,20,21)
InChIKeyRNPSNVBNMAGZGA-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.79
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea (PubChem CID 172617530) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
PubChem CID172617530
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
SMILESCC(C)c1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-12(2)14-5-3-13(4-6-14)11-19-17(21)20-16-9-7-15(18)8-10-16/h3-10,12H,11H2,1-2H3,(H2,19,20,21)
InChIKeyRNPSNVBNMAGZGA-UHFFFAOYSA-N
XLogP4.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
1-[(4-chlorophenyl)methyl]-3-[4-[(1S)-1-methylsulfanylethyl]phenyl]urea
CID 166706416
1-[(4-bromophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 108899366
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
N-[(1S)-1-[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]ethyl]cyclobutanecarboxamide
CID 166706387
2-acetamido-N-[(4-chlorophenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 3380702
1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801414
1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea
CID 155612864
1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea (CID 172617530) is 1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea is CC(C)c1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea?
The InChIKey is RNPSNVBNMAGZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(2)14-5-3-13(4-6-14)11-19-17(21)20-16-9-7-15(18)8-10-16/h3-10,12H,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea?
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea has a molecular weight of 302.81 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea is sourced from PubChem (CID 172617530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).