1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea

C14H14ClN3O2 — CID 61240826

IUPAC1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C14H14ClN3O2/c1-20-13-8-11(6-7-12(13)16)18-14(19)17-10-4-2-9(15)3-5-10/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyWFHOKQOXMIWERD-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.57
Rot. Bonds3

About 1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea

1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea (PubChem CID 61240826) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
PubChem CID61240826
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C14H14ClN3O2/c1-20-13-8-11(6-7-12(13)16)18-14(19)17-10-4-2-9(15)3-5-10/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyWFHOKQOXMIWERD-UHFFFAOYSA-N
XLogP3.57
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866651
1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 82861747
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-(4-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
N-(4-amino-3-methoxyphenyl)prop-2-ynamide
CID 61241972
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
2-(2-amino-4,5-dimethoxyphenyl)-N-(4-chlorophenyl)acetamide
CID 99987219
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate
CID 84514488
1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869425

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea (CID 61240826) is 1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea is COc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea?
The InChIKey is WFHOKQOXMIWERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-20-13-8-11(6-7-12(13)16)18-14(19)17-10-4-2-9(15)3-5-10/h2-8H,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea?
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea has a molecular weight of 291.74 g/mol, XLogP of 3.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 61240826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).