N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide

C16H16FNO2 — CID 7603190

IUPACN-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c1-20-11-13-3-2-4-14(9-13)16(19)18-10-12-5-7-15(17)8-6-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyOQBFBWVWYKSTMG-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.90
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide

N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide (PubChem CID 7603190) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
PubChem CID7603190
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c1-20-11-13-3-2-4-14(9-13)16(19)18-10-12-5-7-15(17)8-6-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyOQBFBWVWYKSTMG-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[[3-(methoxymethyl)benzoyl]amino]thiourea
CID 8942802
N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180
3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
CID 39271149
2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
CID 56788999
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
[3-[(4-fluorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 135741408
N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 9481032

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide (CID 7603190) is N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide?
The InChIKey is OQBFBWVWYKSTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-11-13-3-2-4-14(9-13)16(19)18-10-12-5-7-15(17)8-6-12/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide?
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 7603190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).