4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide

C16H15N3O3 — CID 27648779

IUPAC4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H15N3O3/c1-10(20)18-13-6-8-14(9-7-13)19-16(22)12-4-2-11(3-5-12)15(17)21/h2-9H,1H3,(H2,17,21)(H,18,20)(H,19,22)
InChIKeyWVKGMGMGYDNIOR-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.00
Rot. Bonds4

About 4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide

4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide (PubChem CID 27648779) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
PubChem CID27648779
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H15N3O3/c1-10(20)18-13-6-8-14(9-7-13)19-16(22)12-4-2-11(3-5-12)15(17)21/h2-9H,1H3,(H2,17,21)(H,18,20)(H,19,22)
InChIKeyWVKGMGMGYDNIOR-UHFFFAOYSA-N
XLogP2.00
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-acetamido-N-(3-hydroxyphenyl)benzamide
CID 110463964
4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide
CID 6186119

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide (CID 27648779) is 4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide?
The InChIKey is WVKGMGMGYDNIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10(20)18-13-6-8-14(9-7-13)19-16(22)12-4-2-11(3-5-12)15(17)21/h2-9H,1H3,(H2,17,21)(H,18,20)(H,19,22).
What are the key properties of 4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide?
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 27648779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).