1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea

C22H22ClN3O — CID 2359267

IUPAC1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea
SMILESCC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H22ClN3O/c1-16(2)26(20-6-4-3-5-7-20)21-14-12-19(13-15-21)25-22(27)24-18-10-8-17(23)9-11-18/h3-16H,1-2H3,(H2,24,25,27)
InChIKeyQTPIWURBJWAJNH-UHFFFAOYSA-N
MW379.89 g/mol
LogP6.53
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea

1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea (PubChem CID 2359267) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea
PubChem CID2359267
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea
SMILESCC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H22ClN3O/c1-16(2)26(20-6-4-3-5-7-20)21-14-12-19(13-15-21)25-22(27)24-18-10-8-17(23)9-11-18/h3-16H,1-2H3,(H2,24,25,27)
InChIKeyQTPIWURBJWAJNH-UHFFFAOYSA-N
XLogP6.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(N-phenylanilino)urea
CID 4149546
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
1-amino-3-(4-chlorophenyl)-1-phenylurea
CID 174468778
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
CID 138899896
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 4195925
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide
CID 46573663
2-(4-methylphenoxy)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 3602002

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea (CID 2359267) is 1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea is CC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea?
The InChIKey is QTPIWURBJWAJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-16(2)26(20-6-4-3-5-7-20)21-14-12-19(13-15-21)25-22(27)24-18-10-8-17(23)9-11-18/h3-16H,1-2H3,(H2,24,25,27).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea?
1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea has a molecular weight of 379.89 g/mol, XLogP of 6.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea is sourced from PubChem (CID 2359267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).