2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile

C14H10BrClN2 — CID 82756889

IUPAC2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile
SMILESCc1ccc(Br)c(Nc2cc(Cl)ccc2C#N)c1
InChIInChI=1S/C14H10BrClN2/c1-9-2-5-12(15)14(6-9)18-13-7-11(16)4-3-10(13)8-17/h2-7,18H,1H3
InChIKeyBXLILLSDTLIROJ-UHFFFAOYSA-N
MW321.61 g/mol
LogP5.03
Rot. Bonds2

About 2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile

2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile (PubChem CID 82756889) has the molecular formula C14H10BrClN2 and a molecular weight of 321.61 g/mol. Its IUPAC name is 2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile
PubChem CID82756889
Molecular FormulaC14H10BrClN2
Molecular Weight321.61 g/mol
Exact Mass319.97
IUPAC Name2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile
SMILESCc1ccc(Br)c(Nc2cc(Cl)ccc2C#N)c1
InChIInChI=1S/C14H10BrClN2/c1-9-2-5-12(15)14(6-9)18-13-7-11(16)4-3-10(13)8-17/h2-7,18H,1H3
InChIKeyBXLILLSDTLIROJ-UHFFFAOYSA-N
XLogP5.03
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.61
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzonitrile
CID 104723789
2-(4-bromo-2,5-difluoroanilino)-4-methylbenzonitrile
CID 107612099
2-(3-chloroanilino)-4-methylbenzonitrile
CID 55194414
4-(2-bromo-5-chloroanilino)-2-chlorobenzonitrile
CID 81271577
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
4-chloro-2-(2,5-dichloroanilino)benzonitrile
CID 55194781
4-chloro-2-(3-fluoro-5-methylanilino)benzonitrile
CID 79049328
2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile
CID 63510593
2-(4-amino-2-bromoanilino)-4-chlorobenzonitrile
CID 64914992
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776
2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625
4-chloro-2-(2,5-dichloro-4-methylanilino)benzonitrile
CID 104727196

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile?
The IUPAC name of 2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile (CID 82756889) is 2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile.
What is the SMILES notation for 2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile?
The canonical SMILES for 2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile is Cc1ccc(Br)c(Nc2cc(Cl)ccc2C#N)c1.
What is the InChIKey of 2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile?
The InChIKey is BXLILLSDTLIROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2/c1-9-2-5-12(15)14(6-9)18-13-7-11(16)4-3-10(13)8-17/h2-7,18H,1H3.
What are the key properties of 2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile?
2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile has a molecular weight of 321.61 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile is sourced from PubChem (CID 82756889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).