3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea

C24H24Cl2N4O3 — CID 3618741

IUPAC3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea
SMILESCOc1ccc(N(CCCNC(=O)Nc2cccc(Cl)c2)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H24Cl2N4O3/c1-33-22-11-9-21(10-12-22)30(24(32)29-20-8-3-6-18(26)16-20)14-4-13-27-23(31)28-19-7-2-5-17(25)15-19/h2-3,5-12,15-16H,4,13-14H2,1H3,(H,29,32)(H2,27,28,31)
InChIKeyICPHKRKZVVIVQL-UHFFFAOYSA-N
MW487.39 g/mol
LogP6.25
Rot. Bonds8

About 3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea

3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea (PubChem CID 3618741) has the molecular formula C24H24Cl2N4O3 and a molecular weight of 487.39 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea
PubChem CID3618741
Molecular FormulaC24H24Cl2N4O3
Molecular Weight487.39 g/mol
Exact Mass486.12
IUPAC Name3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea
SMILESCOc1ccc(N(CCCNC(=O)Nc2cccc(Cl)c2)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H24Cl2N4O3/c1-33-22-11-9-21(10-12-22)30(24(32)29-20-8-3-6-18(26)16-20)14-4-13-27-23(31)28-19-7-2-5-17(25)15-19/h2-3,5-12,15-16H,4,13-14H2,1H3,(H,29,32)(H2,27,28,31)
InChIKeyICPHKRKZVVIVQL-UHFFFAOYSA-N
XLogP6.25
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 56.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)-1-[3-[(4-methylsulfanylphenyl)carbamoylamino]propyl]-1-(4-phenoxyphenyl)urea
CID 42705604
3-(4-chlorophenyl)-1-[3-[(4-methoxyphenyl)carbamoylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 42702313
1-[3-[(3-methoxyphenyl)carbamoylamino]propyl]-3-(4-methylphenyl)-1-phenylurea
CID 42702260
3-(3-chlorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42702752
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
3-(4-methoxyphenyl)-1-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-1-(4-phenoxyphenyl)urea
CID 3919297
2-chloro-N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]benzamide
CID 42702736
N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]naphthalene-1-carboxamide
CID 42702747
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
3-(3,4-dichlorophenyl)-1-[3-[(3-fluorophenyl)carbamoylamino]propyl]-1-phenylurea
CID 42705924
N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
CID 42704529

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea (CID 3618741) is 3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea is COc1ccc(N(CCCNC(=O)Nc2cccc(Cl)c2)C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea?
The InChIKey is ICPHKRKZVVIVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3/c1-33-22-11-9-21(10-12-22)30(24(32)29-20-8-3-6-18(26)16-20)14-4-13-27-23(31)28-19-7-2-5-17(25)15-19/h2-3,5-12,15-16H,4,13-14H2,1H3,(H,29,32)(H2,27,28,31).
What are the key properties of 3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea?
3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea has a molecular weight of 487.39 g/mol, XLogP of 6.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea is sourced from PubChem (CID 3618741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).