2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide

C16H16FNO2 — CID 90721563

IUPAC2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(N)=O)c(Cc2cccc(F)c2)c1
InChIInChI=1S/C16H16FNO2/c1-20-10-12-5-6-15(16(18)19)13(8-12)7-11-3-2-4-14(17)9-11/h2-6,8-9H,7,10H2,1H3,(H2,18,19)
InChIKeyNEIPERFNKAMNNE-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.66
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide

2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide (PubChem CID 90721563) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide
PubChem CID90721563
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(N)=O)c(Cc2cccc(F)c2)c1
InChIInChI=1S/C16H16FNO2/c1-20-10-12-5-6-15(16(18)19)13(8-12)7-11-3-2-4-14(17)9-11/h2-6,8-9H,7,10H2,1H3,(H2,18,19)
InChIKeyNEIPERFNKAMNNE-UHFFFAOYSA-N
XLogP2.66
TPSA52.32 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxamide
CID 10193515
(4-methylphenyl)-N-[(4-methylphenyl)methoxy]carboxamide
CID 4776030
3-methyl-N-[(4-methylbenzyl)oxy]benzamide
CID 19582487
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide
CID 155510762
3-(3-Carbamoyl-phenyl)-acrylic acid benzyl ester
CID 10540769
Ethyl 3-[4-(butylaminocarbamoyl)phenyl]-4-fluorobenzoate
CID 118418350
(+/-)-Methyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)benzoate
CID 44592443
(R)-methyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)benzoate
CID 44592444
4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide
CID 53301438
2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide
CID 155542297
3-(3-Carbamoyl-phenyl)-acrylic acid phenethyl ester
CID 10494076
Methyl 4-(aminomethyl)-3-methylbenzoate hydrochloride
CID 66868495

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide (CID 90721563) is 2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(N)=O)c(Cc2cccc(F)c2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide?
The InChIKey is NEIPERFNKAMNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-10-12-5-6-15(16(18)19)13(8-12)7-11-3-2-4-14(17)9-11/h2-6,8-9H,7,10H2,1H3,(H2,18,19).
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide?
2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 90721563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).