4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide

C15H10BrClN2O2 — CID 43805481

IUPAC4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1cccc(NC(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H10BrClN2O2/c16-10-4-5-13(14(17)8-10)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,7H2,(H,19,20)
InChIKeyNSBSWOYZDOQIKN-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.26
Rot. Bonds4

About 4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide

4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide (PubChem CID 43805481) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
PubChem CID43805481
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1cccc(NC(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H10BrClN2O2/c16-10-4-5-13(14(17)8-10)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,7H2,(H,19,20)
InChIKeyNSBSWOYZDOQIKN-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-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
CID 60512198
2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide
CID 43175442
4-bromo-3-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 80973651
3-bromo-5-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 103826633
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
CID 43369133
5-amino-2-bromo-N-[3-(cyanomethoxy)phenyl]benzamide
CID 115297134
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 60776333
4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide (CID 43805481) is 4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide is N#CCOc1cccc(NC(=O)c2ccc(Br)cc2Cl)c1.
What is the InChIKey of 4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide?
The InChIKey is NSBSWOYZDOQIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-10-4-5-13(14(17)8-10)15(20)19-11-2-1-3-12(9-11)21-7-6-18/h1-5,8-9H,7H2,(H,19,20).
What are the key properties of 4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide?
4-bromo-2-chloro-N-[3-(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 4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide is sourced from PubChem (CID 43805481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).