1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea

C16H16BrClN2S — CID 19675328

IUPAC1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea
SMILESCCC(NC(=S)Nc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16BrClN2S/c1-2-14(11-6-4-3-5-7-11)19-16(21)20-15-9-8-12(17)10-13(15)18/h3-10,14H,2H2,1H3,(H2,19,20,21)
InChIKeyFBCWDDHFKWLVSV-UHFFFAOYSA-N
MW383.74 g/mol
LogP5.54
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea

1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea (PubChem CID 19675328) has the molecular formula C16H16BrClN2S and a molecular weight of 383.74 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea
PubChem CID19675328
Molecular FormulaC16H16BrClN2S
Molecular Weight383.74 g/mol
Exact Mass381.99
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea
SMILESCCC(NC(=S)Nc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16BrClN2S/c1-2-14(11-6-4-3-5-7-11)19-16(21)20-15-9-8-12(17)10-13(15)18/h3-10,14H,2H2,1H3,(H2,19,20,21)
InChIKeyFBCWDDHFKWLVSV-UHFFFAOYSA-N
XLogP5.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.74
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea 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-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 17300793
1-(4-bromo-2-chlorophenyl)-3-[(1R)-1-pyridin-4-ylethyl]thiourea
CID 2207489
1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693807
1-(4-bromo-2-chlorophenyl)-3-(4-bromo-2-ethylphenyl)thiourea
CID 19687725
1-(4-bromo-2-chlorophenyl)-3-(2-butylphenyl)thiourea
CID 17300794
3-(4-bromo-2-chlorophenyl)-1,1-di(butan-2-yl)thiourea
CID 17299786
1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675396
N-(4-bromo-2-chlorophenyl)-2-chloro-2-phenylacetamide
CID 43236641
1-(4-bromo-2-chlorophenyl)-3-octylthiourea
CID 19651039
1-(4-bromo-2-chlorophenyl)-3-undecylthiourea
CID 19651304
2-[(4-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 61195408
N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
CID 17312049

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea (CID 19675328) is 1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea is CCC(NC(=S)Nc1ccc(Br)cc1Cl)c1ccccc1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea?
The InChIKey is FBCWDDHFKWLVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2S/c1-2-14(11-6-4-3-5-7-11)19-16(21)20-15-9-8-12(17)10-13(15)18/h3-10,14H,2H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea?
1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea has a molecular weight of 383.74 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea is sourced from PubChem (CID 19675328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).