1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea

C19H23ClN2O — CID 4195925

IUPAC1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-12(2)16-6-5-7-17(13(3)4)18(16)22-19(23)21-15-10-8-14(20)9-11-15/h5-13H,1-4H3,(H2,21,22,23)
InChIKeyMPFPKPUBRPRHCD-UHFFFAOYSA-N
MW330.86 g/mol
LogP6.23
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea

1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 4195925) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID4195925
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-12(2)16-6-5-7-17(13(3)4)18(16)22-19(23)21-15-10-8-14(20)9-11-15/h5-13H,1-4H3,(H2,21,22,23)
InChIKeyMPFPKPUBRPRHCD-UHFFFAOYSA-N
XLogP6.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.86
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
3-(4-chloroanilino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 139806981
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108894700
1-N-(4-chlorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982167
N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide
CID 6472575
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
1-[4,4-bis(4-chlorophenyl)cyclohexyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 19935134
1-(2-methyl-6-propan-2-ylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108991715
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413
1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 43298111
N-(4-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea (CID 4195925) is 1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is MPFPKPUBRPRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-12(2)16-6-5-7-17(13(3)4)18(16)22-19(23)21-15-10-8-14(20)9-11-15/h5-13H,1-4H3,(H2,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 330.86 g/mol, XLogP of 6.23, 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-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 4195925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).