4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide

C28H19BrN2O — CID 164810877

IUPAC4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1ccc2ccc(-c3ccccc3)nc2c1)c1ccc(Br)cc1
InChIInChI=1S/C28H19BrN2O/c29-23-15-12-21(13-16-23)28(32)31-26-9-5-4-8-24(26)22-11-10-20-14-17-25(30-27(20)18-22)19-6-2-1-3-7-19/h1-18H,(H,31,32)
InChIKeyMKJZUOYKEFSSMN-UHFFFAOYSA-N
MW479.38 g/mol
LogP7.58
Rot. Bonds4

About 4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide

4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide (PubChem CID 164810877) has the molecular formula C28H19BrN2O and a molecular weight of 479.38 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide
PubChem CID164810877
Molecular FormulaC28H19BrN2O
Molecular Weight479.38 g/mol
Exact Mass478.07
IUPAC Name4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1ccc2ccc(-c3ccccc3)nc2c1)c1ccc(Br)cc1
InChIInChI=1S/C28H19BrN2O/c29-23-15-12-21(13-16-23)28(32)31-26-9-5-4-8-24(26)22-11-10-20-14-17-25(30-27(20)18-22)19-6-2-1-3-7-19/h1-18H,(H,31,32)
InChIKeyMKJZUOYKEFSSMN-UHFFFAOYSA-N
XLogP7.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.38
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
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N-[8-(4-bromophenyl)naphthalen-1-yl]quinoline-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide (CID 164810877) is 4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1ccc2ccc(-c3ccccc3)nc2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide?
The InChIKey is MKJZUOYKEFSSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19BrN2O/c29-23-15-12-21(13-16-23)28(32)31-26-9-5-4-8-24(26)22-11-10-20-14-17-25(30-27(20)18-22)19-6-2-1-3-7-19/h1-18H,(H,31,32).
What are the key properties of 4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide?
4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide has a molecular weight of 479.38 g/mol, XLogP of 7.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide is sourced from PubChem (CID 164810877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).