4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide

C19H14Br2N2O — CID 70803763

IUPAC4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
SMILESO=C(Nc1ccccc1Nc1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14Br2N2O/c20-14-7-5-13(6-8-14)19(24)23-18-4-2-1-3-17(18)22-16-11-9-15(21)10-12-16/h1-12,22H,(H,23,24)
InChIKeyIYYIRSRLJYAXJC-UHFFFAOYSA-N
MW446.14 g/mol
LogP6.21
Rot. Bonds4

About 4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide

4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide (PubChem CID 70803763) has the molecular formula C19H14Br2N2O and a molecular weight of 446.14 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
PubChem CID70803763
Molecular FormulaC19H14Br2N2O
Molecular Weight446.14 g/mol
Exact Mass443.95
IUPAC Name4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
SMILESO=C(Nc1ccccc1Nc1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14Br2N2O/c20-14-7-5-13(6-8-14)19(24)23-18-4-2-1-3-17(18)22-16-11-9-15(21)10-12-16/h1-12,22H,(H,23,24)
InChIKeyIYYIRSRLJYAXJC-UHFFFAOYSA-N
XLogP6.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.14
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-N,3-N,5-N-tris[2-[4-(trifluoromethyl)anilino]phenyl]benzene-1,3,5-tricarboxamide
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4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide
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4-bromo-N-[2-(dimethylamino)phenyl]benzamide
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4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
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4-benzamido-N-(2-bromophenyl)benzamide
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4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide (CID 70803763) is 4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide is O=C(Nc1ccccc1Nc1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide?
The InChIKey is IYYIRSRLJYAXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2N2O/c20-14-7-5-13(6-8-14)19(24)23-18-4-2-1-3-17(18)22-16-11-9-15(21)10-12-16/h1-12,22H,(H,23,24).
What are the key properties of 4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide?
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide has a molecular weight of 446.14 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide is sourced from PubChem (CID 70803763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).