N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide

C14H10BrClFNO2 — CID 80974125

IUPACN-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C14H10BrClFNO2/c1-20-12-6-5-8(15)7-11(12)18-14(19)9-3-2-4-10(16)13(9)17/h2-7H,1H3,(H,18,19)
InChIKeyLGPWYWVKVIFHHT-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.50
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide

N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide (PubChem CID 80974125) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
PubChem CID80974125
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C14H10BrClFNO2/c1-20-12-6-5-8(15)7-11(12)18-14(19)9-3-2-4-10(16)13(9)17/h2-7H,1H3,(H,18,19)
InChIKeyLGPWYWVKVIFHHT-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

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CID 91722818
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4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
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4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
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5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
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N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
CID 3910940
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
CID 47317531
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CID 61074380
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide (CID 80974125) is N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide is COc1ccc(Br)cc1NC(=O)c1cccc(Cl)c1F.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide?
The InChIKey is LGPWYWVKVIFHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-20-12-6-5-8(15)7-11(12)18-14(19)9-3-2-4-10(16)13(9)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide?
N-(5-bromo-2-methoxyphenyl)-3-chloro-2-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)-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 80974125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).