1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea

C14H13Cl2N3O2 — CID 43554951

IUPAC1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea
SMILESCOc1cc(N)ccc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-21-13-7-9(17)3-5-11(13)18-14(20)19-12-6-8(15)2-4-10(12)16/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyZXAFTTWSTUQFGU-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.23
Rot. Bonds3

About 1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea

1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea (PubChem CID 43554951) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea
PubChem CID43554951
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea
SMILESCOc1cc(N)ccc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-21-13-7-9(17)3-5-11(13)18-14(20)19-12-6-8(15)2-4-10(12)16/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyZXAFTTWSTUQFGU-UHFFFAOYSA-N
XLogP4.23
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.23
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-2-methoxyphenyl)-3-(2-fluorophenyl)urea
CID 16777814
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea
CID 113249966
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420
1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108886216
N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
CID 46799719
N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 54852878
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 43554965
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea?
The IUPAC name of 1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea (CID 43554951) is 1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea is COc1cc(N)ccc1NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea?
The InChIKey is ZXAFTTWSTUQFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-21-13-7-9(17)3-5-11(13)18-14(20)19-12-6-8(15)2-4-10(12)16/h2-7H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea?
1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea has a molecular weight of 326.18 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea is sourced from PubChem (CID 43554951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).