2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile

C14H10BrFN2 — CID 63510593

IUPAC2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C14H10BrFN2/c1-9-2-3-10(8-17)14(6-9)18-13-5-4-11(16)7-12(13)15/h2-7,18H,1H3
InChIKeyDMTNMNBSKBCEJJ-UHFFFAOYSA-N
MW305.15 g/mol
LogP4.51
Rot. Bonds2

About 2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile

2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile (PubChem CID 63510593) has the molecular formula C14H10BrFN2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile
PubChem CID63510593
Molecular FormulaC14H10BrFN2
Molecular Weight305.15 g/mol
Exact Mass304.00
IUPAC Name2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C14H10BrFN2/c1-9-2-3-10(8-17)14(6-9)18-13-5-4-11(16)7-12(13)15/h2-7,18H,1H3
InChIKeyDMTNMNBSKBCEJJ-UHFFFAOYSA-N
XLogP4.51
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625
2-(4-bromo-2,5-difluoroanilino)-4-methylbenzonitrile
CID 107612099
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzonitrile
CID 104723789
2-[(2-bromo-5-fluorophenyl)methylamino]-4-methylbenzonitrile
CID 62307264
2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile
CID 82756889
4-(2-bromo-4-fluoroanilino)benzonitrile
CID 28939526
2-(2-amino-4-methylanilino)-5-fluorobenzonitrile
CID 82013404
2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
CID 107927006
2-(2-bromoanilino)-5-fluorobenzonitrile
CID 55232513
4-methyl-2-(2-methylanilino)benzonitrile
CID 62302441
2-amino-5-(2-bromo-4-fluoroanilino)benzonitrile
CID 115499059
2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile
CID 63510091

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile?
The IUPAC name of 2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile (CID 63510593) is 2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile.
What is the SMILES notation for 2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile?
The canonical SMILES for 2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile is Cc1ccc(C#N)c(Nc2ccc(F)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile?
The InChIKey is DMTNMNBSKBCEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2/c1-9-2-3-10(8-17)14(6-9)18-13-5-4-11(16)7-12(13)15/h2-7,18H,1H3.
What are the key properties of 2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile?
2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile has a molecular weight of 305.15 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile is sourced from PubChem (CID 63510593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).