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

C15H16ClN3O — CID 43551516

IUPAC1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C15H16ClN3O/c1-2-10-3-6-13(9-14(10)17)19-15(20)18-12-7-4-11(16)5-8-12/h3-9H,2,17H2,1H3,(H2,18,19,20)
InChIKeyDABRTSCZALOHCB-UHFFFAOYSA-N
MW289.77 g/mol
LogP4.13
Rot. Bonds3

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

1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea (PubChem CID 43551516) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
PubChem CID43551516
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C15H16ClN3O/c1-2-10-3-6-13(9-14(10)17)19-15(20)18-12-7-4-11(16)5-8-12/h3-9H,2,17H2,1H3,(H2,18,19,20)
InChIKeyDABRTSCZALOHCB-UHFFFAOYSA-N
XLogP4.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 54.13
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-(3,5-dichlorophenyl)urea
CID 107652978
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707
N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
CID 82874897
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
CID 61240826
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
CID 106860388
1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
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-(4-chlorophenyl)urea?
The IUPAC name of 1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea (CID 43551516) is 1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea is CCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1N.
What is the InChIKey of 1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea?
The InChIKey is DABRTSCZALOHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-10-3-6-13(9-14(10)17)19-15(20)18-12-7-4-11(16)5-8-12/h3-9H,2,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea?
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea has a molecular weight of 289.77 g/mol, XLogP of 4.13, 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-(4-chlorophenyl)urea is sourced from PubChem (CID 43551516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).