2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile

C14H10ClFN2 — CID 63510091

IUPAC2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H10ClFN2/c1-9-5-6-10(8-17)13(7-9)18-12-4-2-3-11(15)14(12)16/h2-7,18H,1H3
InChIKeyDDMFLUCZIYCNGX-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.40
Rot. Bonds2

About 2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile

2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile (PubChem CID 63510091) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile
PubChem CID63510091
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H10ClFN2/c1-9-5-6-10(8-17)13(7-9)18-12-4-2-3-11(15)14(12)16/h2-7,18H,1H3
InChIKeyDDMFLUCZIYCNGX-UHFFFAOYSA-N
XLogP4.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(3-chloro-2-fluoroanilino)benzonitrile
CID 114901396
4-methyl-2-(2-methylanilino)benzonitrile
CID 62302441
4-chloro-2-(2,3-difluoroanilino)benzonitrile
CID 63093409
2-(3-chloroanilino)-4-methylbenzonitrile
CID 55194414
2-bromo-4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 107533030
2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzonitrile
CID 104723789
2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile
CID 63510593
2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile
CID 82756889
2-(4-bromo-2,5-difluoroanilino)-4-methylbenzonitrile
CID 107612099
4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile
CID 63511232
2-(2,5-dimethylanilino)benzonitrile
CID 11746208

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile?
The IUPAC name of 2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile (CID 63510091) is 2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile.
What is the SMILES notation for 2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile?
The canonical SMILES for 2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile is Cc1ccc(C#N)c(Nc2cccc(Cl)c2F)c1.
What is the InChIKey of 2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile?
The InChIKey is DDMFLUCZIYCNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c1-9-5-6-10(8-17)13(7-9)18-12-4-2-3-11(15)14(12)16/h2-7,18H,1H3.
What are the key properties of 2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile?
2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile has a molecular weight of 260.70 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile is sourced from PubChem (CID 63510091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).