1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea

C29H26Cl2N4O4 — CID 2252121

IUPAC1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea
SMILESCOc1cc(Cc2ccc(NC(=O)Nc3cccc(Cl)c3)c(OC)c2)ccc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C29H26Cl2N4O4/c1-38-26-14-18(9-11-24(26)34-28(36)32-22-7-3-5-20(30)16-22)13-19-10-12-25(27(15-19)39-2)35-29(37)33-23-8-4-6-21(31)17-23/h3-12,14-17H,13H2,1-2H3,(H2,32,34,36)(H2,33,35,37)
InChIKeyFYEZXHDUGYRSTH-UHFFFAOYSA-N
MW565.46 g/mol
LogP7.89
Rot. Bonds8

About 1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea

1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea (PubChem CID 2252121) has the molecular formula C29H26Cl2N4O4 and a molecular weight of 565.46 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea
PubChem CID2252121
Molecular FormulaC29H26Cl2N4O4
Molecular Weight565.46 g/mol
Exact Mass564.13
IUPAC Name1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea
SMILESCOc1cc(Cc2ccc(NC(=O)Nc3cccc(Cl)c3)c(OC)c2)ccc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C29H26Cl2N4O4/c1-38-26-14-18(9-11-24(26)34-28(36)32-22-7-3-5-20(30)16-22)13-19-10-12-25(27(15-19)39-2)35-29(37)33-23-8-4-6-21(31)17-23/h3-12,14-17H,13H2,1-2H3,(H2,32,34,36)(H2,33,35,37)
InChIKeyFYEZXHDUGYRSTH-UHFFFAOYSA-N
XLogP7.89
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.46
LogP ≤ 57.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea with MolForge

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Related Compounds

N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19187598
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
CID 648612
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(3-chlorophenyl)-3-(methoxymethoxy)urea
CID 110495475
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
1-(3-chlorophenyl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 19449776
N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
CID 108949928
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18567626
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 104848502

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea (CID 2252121) is 1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea is COc1cc(Cc2ccc(NC(=O)Nc3cccc(Cl)c3)c(OC)c2)ccc1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea?
The InChIKey is FYEZXHDUGYRSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N4O4/c1-38-26-14-18(9-11-24(26)34-28(36)32-22-7-3-5-20(30)16-22)13-19-10-12-25(27(15-19)39-2)35-29(37)33-23-8-4-6-21(31)17-23/h3-12,14-17H,13H2,1-2H3,(H2,32,34,36)(H2,33,35,37).
What are the key properties of 1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea?
1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea has a molecular weight of 565.46 g/mol, XLogP of 7.89, 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-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea is sourced from PubChem (CID 2252121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).