4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide

C15H12BrClFNO2 — CID 103292678

IUPAC4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H12BrClFNO2/c1-21-14-4-2-3-12(17)11(14)8-19-15(20)10-6-5-9(16)7-13(10)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyISOZRNAKMAOBTR-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.18
Rot. Bonds4

About 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide

4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide (PubChem CID 103292678) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide
PubChem CID103292678
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H12BrClFNO2/c1-21-14-4-2-3-12(17)11(14)8-19-15(20)10-6-5-9(16)7-13(10)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyISOZRNAKMAOBTR-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 103292717
N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037030
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
CID 104815657
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide
CID 107953670
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
4-bromo-2-fluoro-N-(methoxymethyl)benzamide
CID 71433414
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244
N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
CID 103292680
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038
N-[(2-chloro-6-methoxyphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 103293346
4-bromo-2-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 166179858
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide (CID 103292678) is 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide is COc1cccc(Cl)c1CNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide?
The InChIKey is ISOZRNAKMAOBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-21-14-4-2-3-12(17)11(14)8-19-15(20)10-6-5-9(16)7-13(10)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide?
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide has a molecular weight of 372.62 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 103292678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).