N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide

C15H10BrClN2O — CID 104880434

IUPACN-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H10BrClN2O/c16-12-5-4-11(9-18)14(8-12)19-15(20)7-10-2-1-3-13(17)6-10/h1-6,8H,7H2,(H,19,20)
InChIKeyIGHJJNRAOLLHGC-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.16
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide

N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide (PubChem CID 104880434) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide
PubChem CID104880434
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H10BrClN2O/c16-12-5-4-11(9-18)14(8-12)19-15(20)7-10-2-1-3-13(17)6-10/h1-6,8H,7H2,(H,19,20)
InChIKeyIGHJJNRAOLLHGC-UHFFFAOYSA-N
XLogP4.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 104880469
N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide
CID 104880239
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107031090
N-(5-bromo-2-cyanophenyl)-2-(2,4-difluorophenyl)acetamide
CID 104880226
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922593
N-(2-bromo-4-chlorophenyl)-2-(3-bromophenyl)acetamide
CID 81271927
N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-(3-chlorophenyl)acetamide
CID 22618247
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide (CID 104880434) is N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide is N#Cc1ccc(Br)cc1NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide?
The InChIKey is IGHJJNRAOLLHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-12-5-4-11(9-18)14(8-12)19-15(20)7-10-2-1-3-13(17)6-10/h1-6,8H,7H2,(H,19,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide?
N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide has a molecular weight of 349.62 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 104880434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).