N-(6-bromohexyl)-2-chloro-4-methylbenzamide

C14H19BrClNO — CID 107847912

IUPACN-(6-bromohexyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCCBr)c(Cl)c1
InChIInChI=1S/C14H19BrClNO/c1-11-6-7-12(13(16)10-11)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyCAMABSSQJXFVBM-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.33
Rot. Bonds7

About N-(6-bromohexyl)-2-chloro-4-methylbenzamide

N-(6-bromohexyl)-2-chloro-4-methylbenzamide (PubChem CID 107847912) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-(6-bromohexyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2-chloro-4-methylbenzamide
PubChem CID107847912
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-(6-bromohexyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCCBr)c(Cl)c1
InChIInChI=1S/C14H19BrClNO/c1-11-6-7-12(13(16)10-11)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyCAMABSSQJXFVBM-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
2-bromo-N-(6-bromohexyl)-4-methylbenzamide
CID 107847962
N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide
CID 107847815
N-[3-(2-bromoethoxy)propyl]-2-chloro-4-methylbenzamide
CID 106307690
N-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484
N-(3-azidopropyl)-2-chloro-4-methylbenzamide
CID 106863546
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(6-bromohexyl)-2-chloro-4-methylbenzamide (CID 107847912) is N-(6-bromohexyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(6-bromohexyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(6-bromohexyl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)NCCCCCCBr)c(Cl)c1.
What is the InChIKey of N-(6-bromohexyl)-2-chloro-4-methylbenzamide?
The InChIKey is CAMABSSQJXFVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-11-6-7-12(13(16)10-11)14(18)17-9-5-3-2-4-8-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-(6-bromohexyl)-2-chloro-4-methylbenzamide?
N-(6-bromohexyl)-2-chloro-4-methylbenzamide has a molecular weight of 332.67 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 107847912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).