N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide

C14H10BrClFNO2 — CID 47317659

IUPACN-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H10BrClFNO2/c1-20-12-6-5-8(15)7-11(12)18-14(19)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,19)
InChIKeyGEMIQLFQVRZKQF-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.50
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide

N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide (PubChem CID 47317659) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
PubChem CID47317659
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC NameN-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H10BrClFNO2/c1-20-12-6-5-8(15)7-11(12)18-14(19)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,19)
InChIKeyGEMIQLFQVRZKQF-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
CID 80974125
2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide
CID 55893583
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687
4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid
CID 60916637
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434983
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide
CID 81287800
N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide
CID 82707621
2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522627
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
2-amino-6-chloro-N-(5-chloro-2-methoxyphenyl)benzamide
CID 63659121
N-(2-bromo-5-chlorophenyl)-2-fluoro-6-methoxybenzamide
CID 81272722

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide (CID 47317659) is N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide is COc1ccc(Br)cc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide?
The InChIKey is GEMIQLFQVRZKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-20-12-6-5-8(15)7-11(12)18-14(19)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide?
N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide has a molecular weight of 358.59 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 47317659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).