1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea

C16H18ClN3O4 — CID 108866651

IUPAC1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(N)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C16H18ClN3O4/c1-22-13-7-10(8-14(23-2)15(13)24-3)20-16(21)19-9-4-5-12(18)11(17)6-9/h4-8H,18H2,1-3H3,(H2,19,20,21)
InChIKeyKSOGHZOOCURYQG-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea

1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 108866651) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID108866651
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(N)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C16H18ClN3O4/c1-22-13-7-10(8-14(23-2)15(13)24-3)20-16(21)19-9-4-5-12(18)11(17)6-9/h4-8H,18H2,1-3H3,(H2,19,20,21)
InChIKeyKSOGHZOOCURYQG-UHFFFAOYSA-N
XLogP3.59
TPSA94.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869425
1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 82861747
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
CID 61240826
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
1-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19678008
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
1-[3-chloro-4-hydroxy-5-(1-hydroxyethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 69012883
N-(4-amino-3-chlorophenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502189
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 69011342

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea (CID 108866651) is 1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(N)c(Cl)c2)cc(OC)c1OC.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is KSOGHZOOCURYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-22-13-7-10(8-14(23-2)15(13)24-3)20-16(21)19-9-4-5-12(18)11(17)6-9/h4-8H,18H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 351.79 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 108866651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).