2-(4-benzamidophenyl)benzene-1,4-dicarboxamide

C21H17N3O3 — CID 57312492

IUPAC2-(4-benzamidophenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(-c2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H17N3O3/c22-19(25)15-8-11-17(20(23)26)18(12-15)13-6-9-16(10-7-13)24-21(27)14-4-2-1-3-5-14/h1-12H,(H2,22,25)(H2,23,26)(H,24,27)
InChIKeyVSNWWLIQZZFUPO-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.80
Rot. Bonds5

About 2-(4-benzamidophenyl)benzene-1,4-dicarboxamide

2-(4-benzamidophenyl)benzene-1,4-dicarboxamide (PubChem CID 57312492) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(4-benzamidophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-(4-benzamidophenyl)benzene-1,4-dicarboxamide
PubChem CID57312492
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-(4-benzamidophenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(-c2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H17N3O3/c22-19(25)15-8-11-17(20(23)26)18(12-15)13-6-9-16(10-7-13)24-21(27)14-4-2-1-3-5-14/h1-12H,(H2,22,25)(H2,23,26)(H,24,27)
InChIKeyVSNWWLIQZZFUPO-UHFFFAOYSA-N
XLogP2.80
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
3-[4-(5-carbamoyl-2-phenylphenyl)phenyl]-4-phenylbenzamide
CID 141346150
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112
2-(4-anilinophenyl)benzamide
CID 174939572
molecular hydrogen;N-phenylbenzamide
CID 145238042
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
3-[[4-(2-phenylethynyl)benzoyl]amino]benzamide
CID 22110606

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzamidophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2-(4-benzamidophenyl)benzene-1,4-dicarboxamide (CID 57312492) is 2-(4-benzamidophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-(4-benzamidophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-(4-benzamidophenyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(N)=O)c(-c2ccc(NC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 2-(4-benzamidophenyl)benzene-1,4-dicarboxamide?
The InChIKey is VSNWWLIQZZFUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c22-19(25)15-8-11-17(20(23)26)18(12-15)13-6-9-16(10-7-13)24-21(27)14-4-2-1-3-5-14/h1-12H,(H2,22,25)(H2,23,26)(H,24,27).
What are the key properties of 2-(4-benzamidophenyl)benzene-1,4-dicarboxamide?
2-(4-benzamidophenyl)benzene-1,4-dicarboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzamidophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 57312492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).