N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide

C19H12Br3ClN2O2S — CID 5208760

IUPACN-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C19H12Br3ClN2O2S/c20-11-2-4-13-10(7-11)1-6-16(18(13)22)27-9-17(26)25-19(28)24-12-3-5-14(21)15(23)8-12/h1-8H,9H2,(H2,24,25,26,28)
InChIKeySLOZRQDROSNXEY-UHFFFAOYSA-N
MW607.55 g/mol
LogP6.67
Rot. Bonds4

About N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide

N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide (PubChem CID 5208760) has the molecular formula C19H12Br3ClN2O2S and a molecular weight of 607.55 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
PubChem CID5208760
Molecular FormulaC19H12Br3ClN2O2S
Molecular Weight607.55 g/mol
Exact Mass603.79
IUPAC NameN-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C19H12Br3ClN2O2S/c20-11-2-4-13-10(7-11)1-6-16(18(13)22)27-9-17(26)25-19(28)24-12-3-5-14(21)15(23)8-12/h1-8H,9H2,(H2,24,25,26,28)
InChIKeySLOZRQDROSNXEY-UHFFFAOYSA-N
XLogP6.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.55
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide 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

2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-hydroxyphenyl)carbamothioyl]acetamide
CID 5120117
N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 3307662
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]acetamide
CID 4636278
2-(2-bromo-4-ethylphenoxy)-N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]acetamide
CID 3255660
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(4-methoxyphenyl)acetamide
CID 3326030
N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-methylbutanamide
CID 4923138
N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]pentanamide
CID 4925812
2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
CID 3310435
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(2,4-dichlorophenyl)acetamide
CID 3380159
2-(2,4-dibromophenoxy)-N-[(3,5-dimethylphenyl)carbamothioyl]acetamide
CID 3313169
2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide
CID 3342562
N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3250022

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide (CID 5208760) is N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide is O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide?
The InChIKey is SLOZRQDROSNXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br3ClN2O2S/c20-11-2-4-13-10(7-11)1-6-16(18(13)22)27-9-17(26)25-19(28)24-12-3-5-14(21)15(23)8-12/h1-8H,9H2,(H2,24,25,26,28).
What are the key properties of N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide?
N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide has a molecular weight of 607.55 g/mol, XLogP of 6.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 5208760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).