4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide

C18H19BrN2O2 — CID 109043765

IUPAC4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-2-3-12-20-17(22)13-4-6-14(7-5-13)18(23)21-16-10-8-15(19)9-11-16/h4-11H,2-3,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyZAJQQWOTGICCFA-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.23
Rot. Bonds6

About 4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide

4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide (PubChem CID 109043765) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
PubChem CID109043765
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-2-3-12-20-17(22)13-4-6-14(7-5-13)18(23)21-16-10-8-15(19)9-11-16/h4-11H,2-3,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyZAJQQWOTGICCFA-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
5-N-(4-bromophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102031
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
4-bromo-N-pentylbenzamide
CID 4167913
4-bromo-N-[2-(butylcarbamoylamino)ethyl]benzamide
CID 47322695
4-bromo-N-hexadecylbenzamide
CID 54791037
4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide
CID 17195175
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide (CID 109043765) is 4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide is CCCCNC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide?
The InChIKey is ZAJQQWOTGICCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-2-3-12-20-17(22)13-4-6-14(7-5-13)18(23)21-16-10-8-15(19)9-11-16/h4-11H,2-3,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide?
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide has a molecular weight of 375.27 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).