4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide

C27H21N3O3 — CID 150978973

IUPAC4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(C(N)=O)cc3)cc(-c3ccc(C(N)=O)cc3)c2)cc1
InChIInChI=1S/C27H21N3O3/c28-25(31)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(29)32)15-24(14-22)18-5-11-21(12-6-18)27(30)33/h1-15H,(H2,28,31)(H2,29,32)(H2,30,33)
InChIKeyLPRNZGRCFFMMSK-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.98
Rot. Bonds6

About 4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide

4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide (PubChem CID 150978973) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide
PubChem CID150978973
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Name4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(C(N)=O)cc3)cc(-c3ccc(C(N)=O)cc3)c2)cc1
InChIInChI=1S/C27H21N3O3/c28-25(31)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(29)32)15-24(14-22)18-5-11-21(12-6-18)27(30)33/h1-15H,(H2,28,31)(H2,29,32)(H2,30,33)
InChIKeyLPRNZGRCFFMMSK-UHFFFAOYSA-N
XLogP3.98
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide?
The IUPAC name of 4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide (CID 150978973) is 4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide.
What is the SMILES notation for 4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide?
The canonical SMILES for 4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide is NC(=O)c1ccc(-c2cc(-c3ccc(C(N)=O)cc3)cc(-c3ccc(C(N)=O)cc3)c2)cc1.
What is the InChIKey of 4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide?
The InChIKey is LPRNZGRCFFMMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c28-25(31)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(29)32)15-24(14-22)18-5-11-21(12-6-18)27(30)33/h1-15H,(H2,28,31)(H2,29,32)(H2,30,33).
What are the key properties of 4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide?
4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide has a molecular weight of 435.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-carbamoylphenyl)phenyl]benzamide is sourced from PubChem (CID 150978973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).