2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile

C15H12ClFN2 — CID 114843485

IUPAC2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NC(C#N)c1cc(Cl)ccc1F
InChIInChI=1S/C15H12ClFN2/c1-10-4-2-3-5-14(10)19-15(9-18)12-8-11(16)6-7-13(12)17/h2-8,15,19H,1H3
InChIKeyPLXKNSYMNYVHGW-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.46
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile

2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile (PubChem CID 114843485) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
PubChem CID114843485
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NC(C#N)c1cc(Cl)ccc1F
InChIInChI=1S/C15H12ClFN2/c1-10-4-2-3-5-14(10)19-15(9-18)12-8-11(16)6-7-13(12)17/h2-8,15,19H,1H3
InChIKeyPLXKNSYMNYVHGW-UHFFFAOYSA-N
XLogP4.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54886939
2-(4-bromo-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887028
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetic acid
CID 114843653
2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887307
2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 55246340
(2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile
CID 100954414
2-(butan-2-ylamino)-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 114843576
2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile
CID 54887489
2-isoquinolin-4-yl-2-(2-methylanilino)acetonitrile
CID 104504207
2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 114843588
2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile
CID 104816454
2-(7-chloro-1,3-benzodioxol-5-yl)-2-(2-methylanilino)acetonitrile
CID 60990498

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile (CID 114843485) is 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile is Cc1ccccc1NC(C#N)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile?
The InChIKey is PLXKNSYMNYVHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c1-10-4-2-3-5-14(10)19-15(9-18)12-8-11(16)6-7-13(12)17/h2-8,15,19H,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile?
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile has a molecular weight of 274.73 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile is sourced from PubChem (CID 114843485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).