N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide

C16H10FN3O — CID 63611856

IUPACN-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(CC(=O)Nc2cccc(F)c2C#N)cc1
InChIInChI=1S/C16H10FN3O/c17-14-2-1-3-15(13(14)10-19)20-16(21)8-11-4-6-12(9-18)7-5-11/h1-7H,8H2,(H,20,21)
InChIKeyVMUDMQQUUWUFGB-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.75
Rot. Bonds3

About N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide

N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide (PubChem CID 63611856) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide
PubChem CID63611856
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC NameN-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(CC(=O)Nc2cccc(F)c2C#N)cc1
InChIInChI=1S/C16H10FN3O/c17-14-2-1-3-15(13(14)10-19)20-16(21)8-11-4-6-12(9-18)7-5-11/h1-7H,8H2,(H,20,21)
InChIKeyVMUDMQQUUWUFGB-UHFFFAOYSA-N
XLogP2.75
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenyl)-N-(2,6-difluorophenyl)acetamide
CID 62403831
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
N-(2-cyano-3-fluorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740497
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
N-(2-cyano-3-fluorophenyl)-2-(2-methoxyphenyl)acetamide
CID 43580433
2-anilino-N-(2-cyano-3-fluorophenyl)acetamide
CID 60862601
2-[2-(2-cyano-3-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2814775
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide
CID 43580813

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide (CID 63611856) is N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide is N#Cc1ccc(CC(=O)Nc2cccc(F)c2C#N)cc1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide?
The InChIKey is VMUDMQQUUWUFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-14-2-1-3-15(13(14)10-19)20-16(21)8-11-4-6-12(9-18)7-5-11/h1-7H,8H2,(H,20,21).
What are the key properties of N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide?
N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide has a molecular weight of 279.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide is sourced from PubChem (CID 63611856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).