1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea

C15H15Cl2N3O — CID 43554965

IUPAC1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
SMILESCC(NC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(N)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-9(10-2-5-12(18)6-3-10)19-15(21)20-14-8-11(16)4-7-13(14)17/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyPLPUEYWDVXUGFS-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.46
Rot. Bonds3

About 1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea

1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea (PubChem CID 43554965) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
PubChem CID43554965
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
SMILESCC(NC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(N)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-9(10-2-5-12(18)6-3-10)19-15(21)20-14-8-11(16)4-7-13(14)17/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyPLPUEYWDVXUGFS-UHFFFAOYSA-N
XLogP4.46
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 75811590
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298075
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
1-(2,5-dichlorophenyl)-3-[(1R)-1-(1,2-oxazol-3-yl)ethyl]urea
CID 97258252
1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea
CID 65193306
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9335626
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
ethyl (3R)-3-[(2,5-dichlorophenyl)carbamoylamino]butanoate
CID 96542158
1-[1-(4-bromophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 3866412
1-[1-(4-bromophenyl)ethyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 3379513

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea?
The IUPAC name of 1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea (CID 43554965) is 1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea is CC(NC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(N)cc1.
What is the InChIKey of 1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea?
The InChIKey is PLPUEYWDVXUGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9(10-2-5-12(18)6-3-10)19-15(21)20-14-8-11(16)4-7-13(14)17/h2-9H,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea?
1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea has a molecular weight of 324.21 g/mol, XLogP of 4.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea is sourced from PubChem (CID 43554965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).