N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide

C14H19BrClNOS — CID 106157274

IUPACN-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCCC(C)CBr)c1
InChIInChI=1S/C14H19BrClNOS/c1-10(9-15)4-3-7-17-14(18)12-8-11(19-2)5-6-13(12)16/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyHIZAGHKIFPGGTP-UHFFFAOYSA-N
MW364.74 g/mol
LogP4.60
Rot. Bonds7

About N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide

N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide (PubChem CID 106157274) has the molecular formula C14H19BrClNOS and a molecular weight of 364.74 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide
PubChem CID106157274
Molecular FormulaC14H19BrClNOS
Molecular Weight364.74 g/mol
Exact Mass363.01
IUPAC NameN-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCCC(C)CBr)c1
InChIInChI=1S/C14H19BrClNOS/c1-10(9-15)4-3-7-17-14(18)12-8-11(19-2)5-6-13(12)16/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyHIZAGHKIFPGGTP-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide 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

N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
N-[3-(2-bromoethoxy)propyl]-2-chloro-5-methylsulfanylbenzamide
CID 114171426
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide
CID 106157596
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-(5-bromo-4-methylpentyl)-4-chlorobenzamide
CID 106157415
2-chloro-5-methylsulfanyl-N-[(E)-pent-3-enyl]benzamide
CID 113236475
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
CID 115612538
4-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide
CID 106157759
2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
CID 106157956

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide (CID 106157274) is N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NCCCC(C)CBr)c1.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide?
The InChIKey is HIZAGHKIFPGGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNOS/c1-10(9-15)4-3-7-17-14(18)12-8-11(19-2)5-6-13(12)16/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18).
What are the key properties of N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide?
N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide has a molecular weight of 364.74 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide is sourced from PubChem (CID 106157274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).