N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide

C11H11BrN2OS — CID 107798666

IUPACN-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide
SMILESNC(=S)c1ccc(Br)cc1NC(=O)C1CC1
InChIInChI=1S/C11H11BrN2OS/c12-7-3-4-8(10(13)16)9(5-7)14-11(15)6-1-2-6/h3-6H,1-2H2,(H2,13,16)(H,14,15)
InChIKeyVVAPSWIKNYLNQV-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.43
Rot. Bonds3

About N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide

N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide (PubChem CID 107798666) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide
PubChem CID107798666
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC NameN-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide
SMILESNC(=S)c1ccc(Br)cc1NC(=O)C1CC1
InChIInChI=1S/C11H11BrN2OS/c12-7-3-4-8(10(13)16)9(5-7)14-11(15)6-1-2-6/h3-6H,1-2H2,(H2,13,16)(H,14,15)
InChIKeyVVAPSWIKNYLNQV-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.43
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-(5-bromo-2-carbamothioylphenyl)cyclopentanecarboxamide
CID 114002608
N-(4-bromo-2-carbamothioylphenyl)cyclooctanecarboxamide
CID 82695033
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
N-(5-bromo-2-carbamothioylphenyl)-5-methyloxolane-3-carboxamide
CID 107798769
N-(5-bromo-2-carbamothioylphenyl)-2-methyloxolane-3-carboxamide
CID 107798813
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylcyclohexane-1-carboxamide
CID 107800722
N-(5-bromo-2-carbamothioylphenyl)-2-cyclopropylpropanamide
CID 114002601
N-(5-bromo-2-carbamothioylphenyl)-3-cyclohexylpropanamide
CID 107798584
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide
CID 107798660
3-bromo-N-(5-bromo-2-carbamothioylphenyl)benzamide
CID 107798682
N-(4-bromo-2-carbamothioylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 82704193

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide (CID 107798666) is N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide is NC(=S)c1ccc(Br)cc1NC(=O)C1CC1.
What is the InChIKey of N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide?
The InChIKey is VVAPSWIKNYLNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-7-3-4-8(10(13)16)9(5-7)14-11(15)6-1-2-6/h3-6H,1-2H2,(H2,13,16)(H,14,15).
What are the key properties of N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide?
N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide has a molecular weight of 299.19 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 107798666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).