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

C18H19BrN2O2 — CID 109048442

IUPAC1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-3-21(4-2)18(23)14-11-9-13(10-12-14)17(22)20-16-8-6-5-7-15(16)19/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyVCHRLDKMGKBPPP-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.18
Rot. Bonds5

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

1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (PubChem CID 109048442) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
PubChem CID109048442
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-3-21(4-2)18(23)14-11-9-13(10-12-14)17(22)20-16-8-6-5-7-15(16)19/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyVCHRLDKMGKBPPP-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043031
N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-(2-bromophenyl)-4-(chloromethyl)benzamide
CID 43156285
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide
CID 109238971
3-[(2-bromophenyl)carbamoyl-ethylamino]propanoic acid
CID 61190821
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N,N-diethylbenzamide
CID 86835479
5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 94042730

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide (CID 109048442) is 1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(C(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of 1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
The InChIKey is VCHRLDKMGKBPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-3-21(4-2)18(23)14-11-9-13(10-12-14)17(22)20-16-8-6-5-7-15(16)19/h5-12H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide?
1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide has a molecular weight of 375.27 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).