3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea

C20H16Cl2N2O2 — CID 12589377

IUPAC3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16Cl2N2O2/c21-18-12-11-16(13-19(18)22)23-20(25)24(17-9-5-2-6-10-17)26-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,23,25)
InChIKeyBBJWNCKBDWQMLA-UHFFFAOYSA-N
MW387.27 g/mol
LogP6.16
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea

3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea (PubChem CID 12589377) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea
PubChem CID12589377
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16Cl2N2O2/c21-18-12-11-16(13-19(18)22)23-20(25)24(17-9-5-2-6-10-17)26-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,23,25)
InChIKeyBBJWNCKBDWQMLA-UHFFFAOYSA-N
XLogP6.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea
CID 20787917
1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide
CID 10303103
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
3-oxo-N-phenyl-N-phenylmethoxybutanamide
CID 12589379
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
dibenzyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]butanedioate
CID 27155333
3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113122324
3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42697821
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925
[4-[(3,4-dichlorophenyl)carbamoyl-sulfanylamino]phenyl] furan-2-carboxylate
CID 57288321
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea (CID 12589377) is 3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea is O=C(Nc1ccc(Cl)c(Cl)c1)N(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea?
The InChIKey is BBJWNCKBDWQMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c21-18-12-11-16(13-19(18)22)23-20(25)24(17-9-5-2-6-10-17)26-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,23,25).
What are the key properties of 3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea?
3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea has a molecular weight of 387.27 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea is sourced from PubChem (CID 12589377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).