5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide

C15H18BrClN2OS — CID 2373710

IUPAC5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide
SMILESCCCN(CC1CC1)C(=S)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H18BrClN2OS/c1-2-7-19(9-10-3-4-10)15(21)18-14(20)12-8-11(16)5-6-13(12)17/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,20,21)
InChIKeyRGYPXMAZPKXGST-UHFFFAOYSA-N
MW389.75 g/mol
LogP4.24
Rot. Bonds5

About 5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide

5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide (PubChem CID 2373710) has the molecular formula C15H18BrClN2OS and a molecular weight of 389.75 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide
PubChem CID2373710
Molecular FormulaC15H18BrClN2OS
Molecular Weight389.75 g/mol
Exact Mass388.00
IUPAC Name5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide
SMILESCCCN(CC1CC1)C(=S)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H18BrClN2OS/c1-2-7-19(9-10-3-4-10)15(21)18-14(20)12-8-11(16)5-6-13(12)17/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,20,21)
InChIKeyRGYPXMAZPKXGST-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.75
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide (CID 2373710) is 5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide is CCCN(CC1CC1)C(=S)NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide?
The InChIKey is RGYPXMAZPKXGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2OS/c1-2-7-19(9-10-3-4-10)15(21)18-14(20)12-8-11(16)5-6-13(12)17/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,20,21).
What are the key properties of 5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide?
5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide has a molecular weight of 389.75 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[cyclopropylmethyl(propyl)carbamothioyl]benzamide is sourced from PubChem (CID 2373710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).