4-N-(3-bromophenyl)benzene-1,4-dicarboxamide

C14H11BrN2O2 — CID 30844565

IUPAC4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C14H11BrN2O2/c15-11-2-1-3-12(8-11)17-14(19)10-6-4-9(5-7-10)13(16)18/h1-8H,(H2,16,18)(H,17,19)
InChIKeyQDFDZVXCEGAOSH-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.80
Rot. Bonds3

About 4-N-(3-bromophenyl)benzene-1,4-dicarboxamide

4-N-(3-bromophenyl)benzene-1,4-dicarboxamide (PubChem CID 30844565) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
PubChem CID30844565
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C14H11BrN2O2/c15-11-2-1-3-12(8-11)17-14(19)10-6-4-9(5-7-10)13(16)18/h1-8H,(H2,16,18)(H,17,19)
InChIKeyQDFDZVXCEGAOSH-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-4-carbamothioylbenzamide
CID 24708303
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
3-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 103693338
N-(3-bromophenyl)-4-(diethylamino)benzamide
CID 690499
N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 17459459
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-(3-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 113434629
N-(3-bromophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62248318

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-bromophenyl)benzene-1,4-dicarboxamide (CID 30844565) is 4-N-(3-bromophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-bromophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-bromophenyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of 4-N-(3-bromophenyl)benzene-1,4-dicarboxamide?
The InChIKey is QDFDZVXCEGAOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-11-2-1-3-12(8-11)17-14(19)10-6-4-9(5-7-10)13(16)18/h1-8H,(H2,16,18)(H,17,19).
What are the key properties of 4-N-(3-bromophenyl)benzene-1,4-dicarboxamide?
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide has a molecular weight of 319.16 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 30844565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).