N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide

C11H10BrClN2OS — CID 833432

IUPACN-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(Br)c(Cl)c1)C1CC1
InChIInChI=1S/C11H10BrClN2OS/c12-8-4-3-7(5-9(8)13)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17)
InChIKeyIYZYTMPBTIMFQJ-UHFFFAOYSA-N
MW333.64 g/mol
LogP3.33
Rot. Bonds2

About N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide

N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 833432) has the molecular formula C11H10BrClN2OS and a molecular weight of 333.64 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID833432
Molecular FormulaC11H10BrClN2OS
Molecular Weight333.64 g/mol
Exact Mass331.94
IUPAC NameN-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(Br)c(Cl)c1)C1CC1
InChIInChI=1S/C11H10BrClN2OS/c12-8-4-3-7(5-9(8)13)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17)
InChIKeyIYZYTMPBTIMFQJ-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-fluorophenyl)carbamothioyl]cyclopropanecarboxamide
CID 1257250
N-[(4-bromophenyl)carbamothioyl]cyclobutanecarboxamide
CID 1791701
N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide
CID 2198108
N'-(4-bromo-3-chlorophenyl)-N,N-dimethylthiourea
CID 2731287
N-(4-bromo-3-chlorophenyl)cyclopropanecarboxamide
CID 2295980
N-[(2-bromophenyl)carbamothioyl]cyclopropanecarboxamide
CID 970763
N-(4-bromo-3-chlorophenyl)-N'-phenylurea
CID 681321
(4-Bromo-3-chlorophenyl)thiourea
CID 2731171
N-[4-[(4-bromo-3-chloro-phenyl)carbamothioylamino]phenyl]acetamide
CID 15954823
N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide
CID 2421188
N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide
CID 2731170
N-[(3-chlorophenyl)carbamothioyl]-2-methylpropanamide
CID 1792406

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide (CID 833432) is N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide is O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)C1CC1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is IYZYTMPBTIMFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2OS/c12-8-4-3-7(5-9(8)13)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17).
What are the key properties of N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide?
N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 333.64 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 833432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).