N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide

C13H11Br2NO — CID 144788235

IUPACN-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide
SMILESO=C(NC1=C(Br)C=C(Br)CC1)c1ccccc1
InChIInChI=1S/C13H11Br2NO/c14-10-6-7-12(11(15)8-10)16-13(17)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17)
InChIKeyTVERBZZMMKECQO-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.10
Rot. Bonds2

About N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide

N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide (PubChem CID 144788235) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide
PubChem CID144788235
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC NameN-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide
SMILESO=C(NC1=C(Br)C=C(Br)CC1)c1ccccc1
InChIInChI=1S/C13H11Br2NO/c14-10-6-7-12(11(15)8-10)16-13(17)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17)
InChIKeyTVERBZZMMKECQO-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dibromo-6-phenylphenyl)benzamide
CID 86061877
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
N-hydroxybenzamide;nickel
CID 88846751
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(3,6-dibromo-2-hydroxyphenyl)benzamide
CID 10690575
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-(3-oxo-2H-pyridin-5-yl)benzamide
CID 163827082
N-(2-amino-4,6-dibromophenyl)benzamide
CID 43548444
calcium;hydride;N-hydroxybenzamide
CID 175061214
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide?
The IUPAC name of N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide (CID 144788235) is N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide.
What is the SMILES notation for N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide?
The canonical SMILES for N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide is O=C(NC1=C(Br)C=C(Br)CC1)c1ccccc1.
What is the InChIKey of N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide?
The InChIKey is TVERBZZMMKECQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c14-10-6-7-12(11(15)8-10)16-13(17)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17).
What are the key properties of N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide?
N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide has a molecular weight of 357.05 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromocyclohexa-1,3-dien-1-yl)benzamide is sourced from PubChem (CID 144788235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).