4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide

C16H15BrFNO2 — CID 60652530

IUPAC4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C16H15BrFNO2/c1-19(16(20)12-4-6-13(17)7-5-12)10-11-3-8-15(21-2)14(18)9-11/h3-9H,10H2,1-2H3
InChIKeySOVDYVNLYFLDKJ-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.87
Rot. Bonds4

About 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide

4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 60652530) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID60652530
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C16H15BrFNO2/c1-19(16(20)12-4-6-13(17)7-5-12)10-11-3-8-15(21-2)14(18)9-11/h3-9H,10H2,1-2H3
InChIKeySOVDYVNLYFLDKJ-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

4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 86978090
N-[(4-bromophenyl)methyl]-4-fluoro-3-methoxy-N-methylbenzamide
CID 80960501
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735669
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762574
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17414612
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 46437931
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18145614
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 17447067

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide (CID 60652530) is 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(Br)cc2)cc1F.
What is the InChIKey of 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is SOVDYVNLYFLDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-19(16(20)12-4-6-13(17)7-5-12)10-11-3-8-15(21-2)14(18)9-11/h3-9H,10H2,1-2H3.
What are the key properties of 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-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 4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60652530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).