1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea

C21H18ClN3O3 — CID 4130294

IUPAC1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea
SMILESO=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O3/c22-17-11-13-18(14-12-17)23-20(27)25-24-19(26)21(28,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,28H,(H,24,26)(H2,23,25,27)
InChIKeyNOXQHMXCBUFKPN-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.43
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea

1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea (PubChem CID 4130294) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea
PubChem CID4130294
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea
SMILESO=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O3/c22-17-11-13-18(14-12-17)23-20(27)25-24-19(26)21(28,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,28H,(H,24,26)(H2,23,25,27)
InChIKeyNOXQHMXCBUFKPN-UHFFFAOYSA-N
XLogP3.43
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
CID 840661
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
CID 115621952
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
N-(4-fluorophenyl)-2-hydroxy-2,2-diphenylacetamide
CID 693053
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
1-amino-3-(4-chlorophenyl)-1-phenylurea
CID 174468778
1-(4-chlorophenyl)-3-[2-(tritylamino)ethyl]urea
CID 134119794
2,2,2-tribromo-N-(4-chlorophenyl)acetamide
CID 10916515
N-(4-acetylphenyl)-2-hydroxy-2,2-diphenylacetamide
CID 12522226
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea (CID 4130294) is 1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea is O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea?
The InChIKey is NOXQHMXCBUFKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-17-11-13-18(14-12-17)23-20(27)25-24-19(26)21(28,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,28H,(H,24,26)(H2,23,25,27).
What are the key properties of 1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea?
1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea has a molecular weight of 395.85 g/mol, XLogP of 3.43, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea is sourced from PubChem (CID 4130294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).