4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide

C17H17BrN2O2 — CID 109043031

IUPAC4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-2-11-19-16(21)12-7-9-13(10-8-12)17(22)20-15-6-4-3-5-14(15)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyJOCUNBONUGJGLD-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.84
Rot. Bonds5

About 4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide

4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide (PubChem CID 109043031) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide
PubChem CID109043031
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C17H17BrN2O2/c1-2-11-19-16(21)12-7-9-13(10-8-12)17(22)20-15-6-4-3-5-14(15)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyJOCUNBONUGJGLD-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048442
2-N-(2-bromophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077777
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052632
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-(2-bromophenyl)-4-(chloromethyl)benzamide
CID 43156285
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
4-[[2-(2-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54816290
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide
CID 107630943
N-(2-bromophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223122

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide (CID 109043031) is 4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide is CCCNC(=O)c1ccc(C(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of 4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide?
The InChIKey is JOCUNBONUGJGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-2-11-19-16(21)12-7-9-13(10-8-12)17(22)20-15-6-4-3-5-14(15)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide?
4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide has a molecular weight of 361.24 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).