3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide

C15H10BrClN2O2 — CID 103841565

IUPAC3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C15H10BrClN2O2/c16-13-9-10(1-6-14(13)17)15(20)19-11-2-4-12(5-3-11)21-8-7-18/h1-6,9H,8H2,(H,19,20)
InChIKeyDPQPLWXPIOSPJR-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.26
Rot. Bonds4

About 3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide

3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide (PubChem CID 103841565) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
PubChem CID103841565
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C15H10BrClN2O2/c16-13-9-10(1-6-14(13)17)15(20)19-11-2-4-12(5-3-11)21-8-7-18/h1-6,9H,8H2,(H,19,20)
InChIKeyDPQPLWXPIOSPJR-UHFFFAOYSA-N
XLogP4.26
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
CID 103956272
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
4-bromo-3-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 80973651
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
4-bromo-N-[4-(cyanomethoxy)phenyl]-2-methylbenzamide
CID 43629917
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503
N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide
CID 30662859

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide (CID 103841565) is 3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide is N#CCOc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide?
The InChIKey is DPQPLWXPIOSPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-13-9-10(1-6-14(13)17)15(20)19-11-2-4-12(5-3-11)21-8-7-18/h1-6,9H,8H2,(H,19,20).
What are the key properties of 3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide?
3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide has a molecular weight of 365.61 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide is sourced from PubChem (CID 103841565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).