N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide

C16H15BrFNO2 — CID 55379395

IUPACN-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2Br)c(F)c1
InChIInChI=1S/C16H15BrFNO2/c1-19(10-11-5-3-4-6-14(11)17)16(20)13-8-7-12(21-2)9-15(13)18/h3-9H,10H2,1-2H3
InChIKeyXGDONNNYRFKBSY-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.87
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide

N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide (PubChem CID 55379395) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
PubChem CID55379395
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC NameN-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccc2Br)c(F)c1
InChIInChI=1S/C16H15BrFNO2/c1-19(10-11-5-3-4-6-14(11)17)16(20)13-8-7-12(21-2)9-15(13)18/h3-9H,10H2,1-2H3
InChIKeyXGDONNNYRFKBSY-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868
N-[2-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881851
2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113218973
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 18112121
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885366
2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747382
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
N-(2-bromo-3-methoxypropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885157
2-hydroxy-4-methoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 38254330
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18111776

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide (CID 55379395) is N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2ccccc2Br)c(F)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide?
The InChIKey is XGDONNNYRFKBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-19(10-11-5-3-4-6-14(11)17)16(20)13-8-7-12(21-2)9-15(13)18/h3-9H,10H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide?
N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide has a molecular weight of 352.20 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 55379395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).