N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide

C11H12BrCl2NO — CID 63047188

IUPACN-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCCBr
InChIInChI=1S/C11H12BrCl2NO/c12-4-1-5-15-11(16)7-8-2-3-9(13)10(14)6-8/h2-3,6H,1,4-5,7H2,(H,15,16)
InChIKeyOFSQXADLBZOZDF-UHFFFAOYSA-N
MW325.03 g/mol
LogP3.44
Rot. Bonds5

About N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide

N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 63047188) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
PubChem CID63047188
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC NameN-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCCBr
InChIInChI=1S/C11H12BrCl2NO/c12-4-1-5-15-11(16)7-8-2-3-9(13)10(14)6-8/h2-3,6H,1,4-5,7H2,(H,15,16)
InChIKeyOFSQXADLBZOZDF-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 53.44
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-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047177
2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
CID 103709115
2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide
CID 55146750
2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide
CID 142460671
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide
CID 91642461
2-bromo-N-[3-[(3,4-dichlorophenyl)methyl-methylamino]propyl]acetamide
CID 67442520
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide
CID 107847518
N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114310214

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide (CID 63047188) is N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is OFSQXADLBZOZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c12-4-1-5-15-11(16)7-8-2-3-9(13)10(14)6-8/h2-3,6H,1,4-5,7H2,(H,15,16).
What are the key properties of N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide?
N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 325.03 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 63047188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).