3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide

C20H18N4O2 — CID 154094255

IUPAC3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)N(c2ccc(N)cc2)c2ccc(N)cc2)c1
InChIInChI=1S/C20H18N4O2/c21-15-4-8-17(9-5-15)24(18-10-6-16(22)7-11-18)20(26)14-3-1-2-13(12-14)19(23)25/h1-12H,21-22H2,(H2,23,25)
InChIKeySHIKNGWGBLVHIQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.93
Rot. Bonds4

About 3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide

3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide (PubChem CID 154094255) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide
PubChem CID154094255
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)N(c2ccc(N)cc2)c2ccc(N)cc2)c1
InChIInChI=1S/C20H18N4O2/c21-15-4-8-17(9-5-15)24(18-10-6-16(22)7-11-18)20(26)14-3-1-2-13(12-14)19(23)25/h1-12H,21-22H2,(H2,23,25)
InChIKeySHIKNGWGBLVHIQ-UHFFFAOYSA-N
XLogP2.93
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N-bis[4-(4-aminophenyl)sulfanylphenyl]-5-hydroxybenzene-1,3-dicarboxamide
CID 19832579
N-[3-(3-amino-N-benzoylanilino)phenyl]-N-(3-aminophenyl)benzamide
CID 154145322
3-carbamoylbenzoic acid
CID 3014284
N-(3-carbamoylphenyl)-6-fluoro-N-phenylpyridine-3-carboxamide
CID 68734928
3-N,3-N-bis(1-hydroxyprop-2-enyl)benzene-1,3-dicarboxamide
CID 70362816
2-amino-4-N-(4-aminophenyl)-3-chloro-4-N-phenylbenzene-1,4-dicarboxamide
CID 23501662
N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide
CID 141325798
4-(N-benzoylanilino)-N,N-diphenylbenzamide;1-N,1-N,2-N,2-N,4-N,4-N-hexakis-phenylbenzene-1,2,4-tricarboxamide;1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-tricarboxamide;1-N,1-N,2-N,2-N-tetraphenylbenzene-1,2-dicarboxamide;1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-dicarboxamide
CID 162010773
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
3-(methylamino)benzamide
CID 18727714
4-aminobenzamide;methanol
CID 144801245
3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide (CID 154094255) is 3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)N(c2ccc(N)cc2)c2ccc(N)cc2)c1.
What is the InChIKey of 3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide?
The InChIKey is SHIKNGWGBLVHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-15-4-8-17(9-5-15)24(18-10-6-16(22)7-11-18)20(26)14-3-1-2-13(12-14)19(23)25/h1-12H,21-22H2,(H2,23,25).
What are the key properties of 3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide?
3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(4-aminophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 154094255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).