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

C21H14BrClN2O2 — CID 60512198

IUPAC4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)c3ccc(Br)cc3Cl)c2)c1
InChIInChI=1S/C21H14BrClN2O2/c22-16-7-8-19(20(23)10-16)21(26)25-17-5-2-6-18(11-17)27-13-15-4-1-3-14(9-15)12-24/h1-11H,13H2,(H,25,26)
InChIKeyVHJHSDGVJZRHQC-UHFFFAOYSA-N
MW441.71 g/mol
LogP5.81
Rot. Bonds5

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

4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide (PubChem CID 60512198) has the molecular formula C21H14BrClN2O2 and a molecular weight of 441.71 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
PubChem CID60512198
Molecular FormulaC21H14BrClN2O2
Molecular Weight441.71 g/mol
Exact Mass439.99
IUPAC Name4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)c3ccc(Br)cc3Cl)c2)c1
InChIInChI=1S/C21H14BrClN2O2/c22-16-7-8-19(20(23)10-16)21(26)25-17-5-2-6-18(11-17)27-13-15-4-1-3-14(9-15)12-24/h1-11H,13H2,(H,25,26)
InChIKeyVHJHSDGVJZRHQC-UHFFFAOYSA-N
XLogP5.81
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.71
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43805481
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
4-bromo-N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55689113
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010307
2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39001170
4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
CID 55962072
4-bromo-2-chloro-N-(3-ethynylphenyl)benzamide
CID 47278272

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide (CID 60512198) is 4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide is N#Cc1cccc(COc2cccc(NC(=O)c3ccc(Br)cc3Cl)c2)c1.
What is the InChIKey of 4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide?
The InChIKey is VHJHSDGVJZRHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrClN2O2/c22-16-7-8-19(20(23)10-16)21(26)25-17-5-2-6-18(11-17)27-13-15-4-1-3-14(9-15)12-24/h1-11H,13H2,(H,25,26).
What are the key properties of 4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide?
4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide has a molecular weight of 441.71 g/mol, XLogP of 5.81, 5 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-[(3-cyanophenyl)methoxy]phenyl]benzamide is sourced from PubChem (CID 60512198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).