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

C14H14ClN3O2 — CID 82861747

IUPAC1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C14H14ClN3O2/c1-20-11-5-2-9(3-6-11)17-14(19)18-10-4-7-13(16)12(15)8-10/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyQNQYOAWGVZESHG-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.57
Rot. Bonds3

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

1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea (PubChem CID 82861747) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
PubChem CID82861747
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C14H14ClN3O2/c1-20-11-5-2-9(3-6-11)17-14(19)18-10-4-7-13(16)12(15)8-10/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyQNQYOAWGVZESHG-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-(3,5-dimethoxyphenyl)urea
CID 108869425
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866651
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N'-(4-amino-3-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 108515975
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
CID 61240826
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea (CID 82861747) is 1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(N)c(Cl)c2)cc1.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea?
The InChIKey is QNQYOAWGVZESHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-20-11-5-2-9(3-6-11)17-14(19)18-10-4-7-13(16)12(15)8-10/h2-8H,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea?
1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)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-chlorophenyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 82861747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).