N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide

C16H14FN3O — CID 9106150

IUPACN-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
SMILESCc1cc(F)ccc1NCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H14FN3O/c1-11-7-13(17)5-6-15(11)19-10-16(21)20-14-4-2-3-12(8-14)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeySMYVZKGOMVZXMW-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.06
Rot. Bonds4

About N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide

N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide (PubChem CID 9106150) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
PubChem CID9106150
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
SMILESCc1cc(F)ccc1NCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H14FN3O/c1-11-7-13(17)5-6-15(11)19-10-16(21)20-14-4-2-3-12(8-14)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeySMYVZKGOMVZXMW-UHFFFAOYSA-N
XLogP3.06
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
2-(2-chloro-4-fluoroanilino)-N-(3-cyanophenyl)acetamide
CID 9099516
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369777

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide (CID 9106150) is N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide is Cc1cc(F)ccc1NCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide?
The InChIKey is SMYVZKGOMVZXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-7-13(17)5-6-15(11)19-10-16(21)20-14-4-2-3-12(8-14)9-18/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide?
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide has a molecular weight of 283.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide is sourced from PubChem (CID 9106150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).