2,5-dibromo-N-(3-cyanophenyl)benzamide

C14H8Br2N2O — CID 114369410

IUPAC2,5-dibromo-N-(3-cyanophenyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H8Br2N2O/c15-10-4-5-13(16)12(7-10)14(19)18-11-3-1-2-9(6-11)8-17/h1-7H,(H,18,19)
InChIKeyIOHYUFNHTHAWIH-UHFFFAOYSA-N
MW380.04 g/mol
LogP4.34
Rot. Bonds2

About 2,5-dibromo-N-(3-cyanophenyl)benzamide

2,5-dibromo-N-(3-cyanophenyl)benzamide (PubChem CID 114369410) has the molecular formula C14H8Br2N2O and a molecular weight of 380.04 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-cyanophenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-cyanophenyl)benzamide
PubChem CID114369410
Molecular FormulaC14H8Br2N2O
Molecular Weight380.04 g/mol
Exact Mass377.90
IUPAC Name2,5-dibromo-N-(3-cyanophenyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H8Br2N2O/c15-10-4-5-13(16)12(7-10)14(19)18-11-3-1-2-9(6-11)8-17/h1-7H,(H,18,19)
InChIKeyIOHYUFNHTHAWIH-UHFFFAOYSA-N
XLogP4.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
2-bromo-N-[4-(3-cyanoanilino)phenyl]benzamide
CID 112989936
5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide
CID 17350713
4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
CID 47421832
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
5-bromo-N-(3-cyanophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62165850
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390
N-(3-cyanophenyl)-2-hydrazinylbenzamide
CID 62248854
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
CID 113460579

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-cyanophenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(3-cyanophenyl)benzamide (CID 114369410) is 2,5-dibromo-N-(3-cyanophenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(3-cyanophenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(3-cyanophenyl)benzamide is N#Cc1cccc(NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-(3-cyanophenyl)benzamide?
The InChIKey is IOHYUFNHTHAWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O/c15-10-4-5-13(16)12(7-10)14(19)18-11-3-1-2-9(6-11)8-17/h1-7H,(H,18,19).
What are the key properties of 2,5-dibromo-N-(3-cyanophenyl)benzamide?
2,5-dibromo-N-(3-cyanophenyl)benzamide has a molecular weight of 380.04 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-cyanophenyl)benzamide is sourced from PubChem (CID 114369410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).