N-(4-bromobutyl)-2-(3-bromophenyl)acetamide

C12H15Br2NO — CID 106845789

IUPACN-(4-bromobutyl)-2-(3-bromophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCCCBr
InChIInChI=1S/C12H15Br2NO/c13-6-1-2-7-15-12(16)9-10-4-3-5-11(14)8-10/h3-5,8H,1-2,6-7,9H2,(H,15,16)
InChIKeyLUHXJLHJJKSFIB-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.28
Rot. Bonds6

About N-(4-bromobutyl)-2-(3-bromophenyl)acetamide

N-(4-bromobutyl)-2-(3-bromophenyl)acetamide (PubChem CID 106845789) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is N-(4-bromobutyl)-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromobutyl)-2-(3-bromophenyl)acetamide
PubChem CID106845789
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC NameN-(4-bromobutyl)-2-(3-bromophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCCCBr
InChIInChI=1S/C12H15Br2NO/c13-6-1-2-7-15-12(16)9-10-4-3-5-11(14)8-10/h3-5,8H,1-2,6-7,9H2,(H,15,16)
InChIKeyLUHXJLHJJKSFIB-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.28
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

2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
2-(3-bromophenyl)-N-hex-5-ynylacetamide
CID 103757951
N-(6-bromohexyl)-2-(3-methylphenyl)acetamide
CID 107847492
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949
N-(4-bromobutyl)-2-(4-bromophenyl)acetamide
CID 106845842
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
5-[[2-(3-bromophenyl)acetyl]amino]-2-methylpentanoic acid
CID 113440578
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide
CID 86877152
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113098238
N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide
CID 107847518

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-2-(3-bromophenyl)acetamide?
The IUPAC name of N-(4-bromobutyl)-2-(3-bromophenyl)acetamide (CID 106845789) is N-(4-bromobutyl)-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-(4-bromobutyl)-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-(4-bromobutyl)-2-(3-bromophenyl)acetamide is O=C(Cc1cccc(Br)c1)NCCCCBr.
What is the InChIKey of N-(4-bromobutyl)-2-(3-bromophenyl)acetamide?
The InChIKey is LUHXJLHJJKSFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c13-6-1-2-7-15-12(16)9-10-4-3-5-11(14)8-10/h3-5,8H,1-2,6-7,9H2,(H,15,16).
What are the key properties of N-(4-bromobutyl)-2-(3-bromophenyl)acetamide?
N-(4-bromobutyl)-2-(3-bromophenyl)acetamide has a molecular weight of 349.07 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 106845789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).