N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide

C14H10BrClFNO — CID 113256553

IUPACN-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(F)ccc2Br)ccc1Cl
InChIInChI=1S/C14H10BrClFNO/c1-8-6-9(2-5-12(8)16)14(19)18-13-7-10(17)3-4-11(13)15/h2-7H,1H3,(H,18,19)
InChIKeyZOCMQHFBXHABIR-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide

N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide (PubChem CID 113256553) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
PubChem CID113256553
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC NameN-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(F)ccc2Br)ccc1Cl
InChIInChI=1S/C14H10BrClFNO/c1-8-6-9(2-5-12(8)16)14(19)18-13-7-10(17)3-4-11(13)15/h2-7H,1H3,(H,18,19)
InChIKeyZOCMQHFBXHABIR-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-5-fluorophenyl)-3-chloro-5-methylbenzamide
CID 103774481
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
CID 107997720

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide (CID 113256553) is N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(F)ccc2Br)ccc1Cl.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide?
The InChIKey is ZOCMQHFBXHABIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-6-9(2-5-12(8)16)14(19)18-13-7-10(17)3-4-11(13)15/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide?
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide has a molecular weight of 342.60 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide is sourced from PubChem (CID 113256553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).