1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea

C15H15Cl2N3O — CID 43551526

IUPAC1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1N
InChIInChI=1S/C15H15Cl2N3O/c1-2-9-3-4-11(8-14(9)18)20-15(21)19-10-5-6-12(16)13(17)7-10/h3-8H,2,18H2,1H3,(H2,19,20,21)
InChIKeyBFSWPGKPXLHOGA-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.78
Rot. Bonds3

About 1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea

1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 43551526) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
PubChem CID43551526
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1N
InChIInChI=1S/C15H15Cl2N3O/c1-2-9-3-4-11(8-14(9)18)20-15(21)19-10-5-6-12(16)13(17)7-10/h3-8H,2,18H2,1H3,(H2,19,20,21)
InChIKeyBFSWPGKPXLHOGA-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
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-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 107698053
1-[5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]-2-ethylphenyl]-3-(3,4-dichlorophenyl)urea
CID 171980838
1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620378
N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
CID 106860388
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
CID 103218699

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea (CID 43551526) is 1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea is CCc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1N.
What is the InChIKey of 1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is BFSWPGKPXLHOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-2-9-3-4-11(8-14(9)18)20-15(21)19-10-5-6-12(16)13(17)7-10/h3-8H,2,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea?
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 324.21 g/mol, XLogP of 4.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 43551526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).