1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea

C30H31ClN4O4 — CID 69341761

IUPAC1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
SMILESCCOc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1.CCOc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15ClN2O2.C15H16N2O2/c1-2-20-14-8-6-12(7-9-14)17-15(19)18-13-5-3-4-11(16)10-13;1-2-19-14-10-8-13(9-11-14)17-15(18)16-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H2,17,18,19);3-11H,2H2,1H3,(H2,16,17,18)
InChIKeySGPATHBNVXZMDA-UHFFFAOYSA-N
MW547.06 g/mol
LogP8.11
Rot. Bonds8

About 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea

1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea (PubChem CID 69341761) has the molecular formula C30H31ClN4O4 and a molecular weight of 547.06 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
PubChem CID69341761
Molecular FormulaC30H31ClN4O4
Molecular Weight547.06 g/mol
Exact Mass546.20
IUPAC Name1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
SMILESCCOc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1.CCOc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15ClN2O2.C15H16N2O2/c1-2-20-14-8-6-12(7-9-14)17-15(19)18-13-5-3-4-11(16)10-13;1-2-19-14-10-8-13(9-11-14)17-15(18)16-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H2,17,18,19);3-11H,2H2,1H3,(H2,16,17,18)
InChIKeySGPATHBNVXZMDA-UHFFFAOYSA-N
XLogP8.11
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.06
LogP ≤ 58.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108789
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154
1-(3-chlorophenyl)-3-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethoxyphenyl)carbamimidoyl]urea
CID 135422702
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274004
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
(Z)-3-(3-chloroanilino)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
CID 108855593
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea (CID 69341761) is 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea is CCOc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1.CCOc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea?
The InChIKey is SGPATHBNVXZMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2.C15H16N2O2/c1-2-20-14-8-6-12(7-9-14)17-15(19)18-13-5-3-4-11(16)10-13;1-2-19-14-10-8-13(9-11-14)17-15(18)16-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H2,17,18,19);3-11H,2H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea?
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea has a molecular weight of 547.06 g/mol, XLogP of 8.11, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea is sourced from PubChem (CID 69341761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).