1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea

C11H16ClN3O — CID 70116155

IUPAC1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea
SMILESCCC(C)c1ccc(NC(=O)NN)cc1Cl
InChIInChI=1S/C11H16ClN3O/c1-3-7(2)9-5-4-8(6-10(9)12)14-11(16)15-13/h4-7H,3,13H2,1-2H3,(H2,14,15,16)
InChIKeyFQIJBRVWIVJCDA-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.85
Rot. Bonds3

About 1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea

1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea (PubChem CID 70116155) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea.

Molecular Properties

Compound Name1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea
PubChem CID70116155
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea
SMILESCCC(C)c1ccc(NC(=O)NN)cc1Cl
InChIInChI=1S/C11H16ClN3O/c1-3-7(2)9-5-4-8(6-10(9)12)14-11(16)15-13/h4-7H,3,13H2,1-2H3,(H2,14,15,16)
InChIKeyFQIJBRVWIVJCDA-UHFFFAOYSA-N
XLogP2.85
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butan-2-yl-3-chlorophenyl)propan-2-amine
CID 117324650
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
1-(4-butan-2-ylphenyl)-3-(3-chlorophenyl)urea
CID 2930662
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
N-(3-amino-4-chlorophenyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 46735825
2-(4-butan-2-yl-3-chlorophenyl)propan-1-amine
CID 117324646
2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 47112271
1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea
CID 63733150
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea?
The IUPAC name of 1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea (CID 70116155) is 1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea.
What is the SMILES notation for 1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea?
The canonical SMILES for 1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea is CCC(C)c1ccc(NC(=O)NN)cc1Cl.
What is the InChIKey of 1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea?
The InChIKey is FQIJBRVWIVJCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-7(2)9-5-4-8(6-10(9)12)14-11(16)15-13/h4-7H,3,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea?
1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea has a molecular weight of 241.72 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-butan-2-yl-3-chlorophenyl)urea is sourced from PubChem (CID 70116155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).