N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide

C14H9BrCl2FNO — CID 107788752

IUPACN-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)ccc1F
InChIInChI=1S/C14H9BrCl2FNO/c1-7-6-8(2-4-10(7)18)14(20)19-11-5-3-9(15)12(16)13(11)17/h2-6H,1H3,(H,19,20)
InChIKeyNSUBLQIWDQWOLP-UHFFFAOYSA-N
MW377.04 g/mol
LogP5.46
Rot. Bonds2

About N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide

N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide (PubChem CID 107788752) has the molecular formula C14H9BrCl2FNO and a molecular weight of 377.04 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
PubChem CID107788752
Molecular FormulaC14H9BrCl2FNO
Molecular Weight377.04 g/mol
Exact Mass374.92
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)ccc1F
InChIInChI=1S/C14H9BrCl2FNO/c1-7-6-8(2-4-10(7)18)14(20)19-11-5-3-9(15)12(16)13(11)17/h2-6H,1H3,(H,19,20)
InChIKeyNSUBLQIWDQWOLP-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.04
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
CID 103478813
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide
CID 107626139
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide (CID 107788752) is N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)ccc1F.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide?
The InChIKey is NSUBLQIWDQWOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2FNO/c1-7-6-8(2-4-10(7)18)14(20)19-11-5-3-9(15)12(16)13(11)17/h2-6H,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide?
N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide has a molecular weight of 377.04 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 107788752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).