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

C15H16ClN3O3 — CID 108869425

IUPAC1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(N)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C15H16ClN3O3/c1-21-11-5-10(6-12(8-11)22-2)19-15(20)18-9-3-4-14(17)13(16)7-9/h3-8H,17H2,1-2H3,(H2,18,19,20)
InChIKeyHLXDDLSLQXHHOS-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.58
Rot. Bonds4

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

1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea (PubChem CID 108869425) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
PubChem CID108869425
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(N)c(Cl)c2)cc(OC)c1
InChIInChI=1S/C15H16ClN3O3/c1-21-11-5-10(6-12(8-11)22-2)19-15(20)18-9-3-4-14(17)13(16)7-9/h3-8H,17H2,1-2H3,(H2,18,19,20)
InChIKeyHLXDDLSLQXHHOS-UHFFFAOYSA-N
XLogP3.58
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 82861747
1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866651
N'-(4-amino-3-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 108515975
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea (CID 108869425) is 1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(N)c(Cl)c2)cc(OC)c1.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is HLXDDLSLQXHHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-21-11-5-10(6-12(8-11)22-2)19-15(20)18-9-3-4-14(17)13(16)7-9/h3-8H,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea?
1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea has a molecular weight of 321.76 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 108869425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).