N-(4-bromo-3-chlorophenyl)decanamide

C16H23BrClNO — CID 107620607

IUPACN-(4-bromo-3-chlorophenyl)decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H23BrClNO/c1-2-3-4-5-6-7-8-9-16(20)19-13-10-11-14(17)15(18)12-13/h10-12H,2-9H2,1H3,(H,19,20)
InChIKeyRJEKCOYQZGAEMV-UHFFFAOYSA-N
MW360.72 g/mol
LogP6.18
Rot. Bonds9

About N-(4-bromo-3-chlorophenyl)decanamide

N-(4-bromo-3-chlorophenyl)decanamide (PubChem CID 107620607) has the molecular formula C16H23BrClNO and a molecular weight of 360.72 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)decanamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)decanamide
PubChem CID107620607
Molecular FormulaC16H23BrClNO
Molecular Weight360.72 g/mol
Exact Mass359.07
IUPAC NameN-(4-bromo-3-chlorophenyl)decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H23BrClNO/c1-2-3-4-5-6-7-8-9-16(20)19-13-10-11-14(17)15(18)12-13/h10-12H,2-9H2,1H3,(H,19,20)
InChIKeyRJEKCOYQZGAEMV-UHFFFAOYSA-N
XLogP6.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.72
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-fluorophenyl)octanamide
CID 65429012
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-chlorophenyl)tridecanamide
CID 4195215
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-(4-chloro-3-sulfanylphenyl)pentanamide
CID 4713020
N-(3-bromophenyl)heptanamide
CID 4596383
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
2-bromo-5-(pentanoylamino)benzoic acid
CID 115295715
ethyl 3-(4-bromo-3-chloroanilino)-3-oxopropanoate
CID 134123354

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)decanamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)decanamide (CID 107620607) is N-(4-bromo-3-chlorophenyl)decanamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)decanamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)decanamide is CCCCCCCCCC(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)decanamide?
The InChIKey is RJEKCOYQZGAEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO/c1-2-3-4-5-6-7-8-9-16(20)19-13-10-11-14(17)15(18)12-13/h10-12H,2-9H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-3-chlorophenyl)decanamide?
N-(4-bromo-3-chlorophenyl)decanamide has a molecular weight of 360.72 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)decanamide is sourced from PubChem (CID 107620607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).