1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide

C22H18N4O4 — CID 1272826

IUPAC1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C22H18N4O4/c23-19(27)13-5-9-17(10-6-13)25-21(29)15-1-2-16(4-3-15)22(30)26-18-11-7-14(8-12-18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)
InChIKeyTUZOZPOOJSNSBB-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.39
Rot. Bonds6

About 1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide

1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide (PubChem CID 1272826) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
PubChem CID1272826
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C22H18N4O4/c23-19(27)13-5-9-17(10-6-13)25-21(29)15-1-2-16(4-3-15)22(30)26-18-11-7-14(8-12-18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30)
InChIKeyTUZOZPOOJSNSBB-UHFFFAOYSA-N
XLogP2.39
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
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-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
4-[(4-azidobenzoyl)amino]benzamide
CID 169326653
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803
4-[[4-(2,2-dicyanoethenylamino)benzoyl]amino]benzamide
CID 168545506
4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide
CID 169341949
(4-benzamidophenyl) 4-carbamoylbenzoate
CID 35623223
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide (CID 1272826) is 1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is TUZOZPOOJSNSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c23-19(27)13-5-9-17(10-6-13)25-21(29)15-1-2-16(4-3-15)22(30)26-18-11-7-14(8-12-18)20(24)28/h1-12H,(H2,23,27)(H2,24,28)(H,25,29)(H,26,30).
What are the key properties of 1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 1272826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).