3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide

C15H10Br2N2O2 — CID 103907443

IUPAC3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1ccc(NC(=O)c2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C15H10Br2N2O2/c16-11-7-10(8-12(17)9-11)15(20)19-13-1-3-14(4-2-13)21-6-5-18/h1-4,7-9H,6H2,(H,19,20)
InChIKeyDCBWRRMSVFTMBI-UHFFFAOYSA-N
MW410.07 g/mol
LogP4.37
Rot. Bonds4

About 3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide

3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide (PubChem CID 103907443) has the molecular formula C15H10Br2N2O2 and a molecular weight of 410.07 g/mol. Its IUPAC name is 3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
PubChem CID103907443
Molecular FormulaC15H10Br2N2O2
Molecular Weight410.07 g/mol
Exact Mass407.91
IUPAC Name3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1ccc(NC(=O)c2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C15H10Br2N2O2/c16-11-7-10(8-12(17)9-11)15(20)19-13-1-3-14(4-2-13)21-6-5-18/h1-4,7-9H,6H2,(H,19,20)
InChIKeyDCBWRRMSVFTMBI-UHFFFAOYSA-N
XLogP4.37
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.07
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
CID 103956272
3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103841565
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
CID 115659773
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
4-bromo-N-[4-(cyanomethoxy)phenyl]-2-methylbenzamide
CID 43629917
3-bromo-5-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 103826633
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide (CID 103907443) is 3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide is N#CCOc1ccc(NC(=O)c2cc(Br)cc(Br)c2)cc1.
What is the InChIKey of 3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide?
The InChIKey is DCBWRRMSVFTMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O2/c16-11-7-10(8-12(17)9-11)15(20)19-13-1-3-14(4-2-13)21-6-5-18/h1-4,7-9H,6H2,(H,19,20).
What are the key properties of 3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide?
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide has a molecular weight of 410.07 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide is sourced from PubChem (CID 103907443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).