4-bromo-N,N-dipentylbenzamide

C17H26BrNO — CID 4599077

IUPAC4-bromo-N,N-dipentylbenzamide
SMILESCCCCCN(CCCCC)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-3-5-7-13-19(14-8-6-4-2)17(20)15-9-11-16(18)12-10-15/h9-12H,3-8,13-14H2,1-2H3
InChIKeyJGLFXOFRZBAIAN-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.27
Rot. Bonds9

About 4-bromo-N,N-dipentylbenzamide

4-bromo-N,N-dipentylbenzamide (PubChem CID 4599077) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 4-bromo-N,N-dipentylbenzamide.

Molecular Properties

Compound Name4-bromo-N,N-dipentylbenzamide
PubChem CID4599077
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name4-bromo-N,N-dipentylbenzamide
SMILESCCCCCN(CCCCC)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-3-5-7-13-19(14-8-6-4-2)17(20)15-9-11-16(18)12-10-15/h9-12H,3-8,13-14H2,1-2H3
InChIKeyJGLFXOFRZBAIAN-UHFFFAOYSA-N
XLogP5.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N,N-dihexylbenzamide
CID 533235
4-amino-N,N-didodecylbenzamide
CID 5077826
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
4-(dioctadecylcarbamoyl)benzenesulfonic acid
CID 126642687
N,N-didecyl-4-(trifluoromethyl)benzamide
CID 532962
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
5-bromo-N,N-dihexylpyridine-3-carboxamide
CID 132587531
4-(didodecylcarbamoyl)benzenesulfonyl fluoride
CID 126642663
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dipentylbenzamide?
The IUPAC name of 4-bromo-N,N-dipentylbenzamide (CID 4599077) is 4-bromo-N,N-dipentylbenzamide.
What is the SMILES notation for 4-bromo-N,N-dipentylbenzamide?
The canonical SMILES for 4-bromo-N,N-dipentylbenzamide is CCCCCN(CCCCC)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N,N-dipentylbenzamide?
The InChIKey is JGLFXOFRZBAIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-5-7-13-19(14-8-6-4-2)17(20)15-9-11-16(18)12-10-15/h9-12H,3-8,13-14H2,1-2H3.
What are the key properties of 4-bromo-N,N-dipentylbenzamide?
4-bromo-N,N-dipentylbenzamide has a molecular weight of 340.31 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dipentylbenzamide is sourced from PubChem (CID 4599077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).