N-(3-bromo-4-nitrophenyl)-5-chloropentanamide

C11H12BrClN2O3 — CID 82864603

IUPACN-(3-bromo-4-nitrophenyl)-5-chloropentanamide
SMILESO=C(CCCCCl)Nc1ccc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C11H12BrClN2O3/c12-9-7-8(4-5-10(9)15(17)18)14-11(16)3-1-2-6-13/h4-5,7H,1-3,6H2,(H,14,16)
InChIKeyYNFXUAWQVQHLNK-UHFFFAOYSA-N
MW335.59 g/mol
LogP3.70
Rot. Bonds6

About N-(3-bromo-4-nitrophenyl)-5-chloropentanamide

N-(3-bromo-4-nitrophenyl)-5-chloropentanamide (PubChem CID 82864603) has the molecular formula C11H12BrClN2O3 and a molecular weight of 335.59 g/mol. Its IUPAC name is N-(3-bromo-4-nitrophenyl)-5-chloropentanamide.

Molecular Properties

Compound NameN-(3-bromo-4-nitrophenyl)-5-chloropentanamide
PubChem CID82864603
Molecular FormulaC11H12BrClN2O3
Molecular Weight335.59 g/mol
Exact Mass333.97
IUPAC NameN-(3-bromo-4-nitrophenyl)-5-chloropentanamide
SMILESO=C(CCCCCl)Nc1ccc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C11H12BrClN2O3/c12-9-7-8(4-5-10(9)15(17)18)14-11(16)3-1-2-6-13/h4-5,7H,1-3,6H2,(H,14,16)
InChIKeyYNFXUAWQVQHLNK-UHFFFAOYSA-N
XLogP3.70
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-bromo-4-nitroanilino)-6-oxohexanoic acid
CID 82861673
N-(3-bromo-4-nitrophenyl)-5-hydroxypentanamide
CID 82865508
6-(4-bromo-3-nitroanilino)-6-oxohexanoic acid
CID 79767512
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573
N-(3-bromo-4-nitrophenyl)-2-methylsulfanylacetamide
CID 75446808
N-(4-bromo-3-fluorophenyl)-5-chloropentanamide
CID 65436710
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
N-(3-bromo-4-nitrophenyl)-3-chloro-2-methylpropanamide
CID 82864604
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248
N-(3-bromo-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605620
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
N-[4-nitro-3-(octanoylamino)phenyl]octanamide
CID 3518241

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-nitrophenyl)-5-chloropentanamide?
The IUPAC name of N-(3-bromo-4-nitrophenyl)-5-chloropentanamide (CID 82864603) is N-(3-bromo-4-nitrophenyl)-5-chloropentanamide.
What is the SMILES notation for N-(3-bromo-4-nitrophenyl)-5-chloropentanamide?
The canonical SMILES for N-(3-bromo-4-nitrophenyl)-5-chloropentanamide is O=C(CCCCCl)Nc1ccc([N+](=O)[O-])c(Br)c1.
What is the InChIKey of N-(3-bromo-4-nitrophenyl)-5-chloropentanamide?
The InChIKey is YNFXUAWQVQHLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O3/c12-9-7-8(4-5-10(9)15(17)18)14-11(16)3-1-2-6-13/h4-5,7H,1-3,6H2,(H,14,16).
What are the key properties of N-(3-bromo-4-nitrophenyl)-5-chloropentanamide?
N-(3-bromo-4-nitrophenyl)-5-chloropentanamide has a molecular weight of 335.59 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-nitrophenyl)-5-chloropentanamide is sourced from PubChem (CID 82864603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).