2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

C16H16FNO2 — CID 60631214

IUPAC2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNO2/c1-18(11-12-7-9-13(20-2)10-8-12)16(19)14-5-3-4-6-15(14)17/h3-10H,11H2,1-2H3
InChIKeyFUGHADKRTXZKGF-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.11
Rot. Bonds4

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

2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 60631214) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID60631214
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNO2/c1-18(11-12-7-9-13(20-2)10-8-12)16(19)14-5-3-4-6-15(14)17/h3-10H,11H2,1-2H3
InChIKeyFUGHADKRTXZKGF-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55555108
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024323
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
2-fluoro-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733867
5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55913537
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 43248666
2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 61112358
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18116979
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (CID 60631214) is 2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is FUGHADKRTXZKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-18(11-12-7-9-13(20-2)10-8-12)16(19)14-5-3-4-6-15(14)17/h3-10H,11H2,1-2H3.
What are the key properties of 2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60631214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).