N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide

C17H18FNO2 — CID 31282035

IUPACN-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C17H18FNO2/c1-21-12-13-5-4-7-15(11-13)17(20)19-10-9-14-6-2-3-8-16(14)18/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyQCQSXXQCOILMPI-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide

N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide (PubChem CID 31282035) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide
PubChem CID31282035
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C17H18FNO2/c1-21-12-13-5-4-7-15(11-13)17(20)19-10-9-14-6-2-3-8-16(14)18/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyQCQSXXQCOILMPI-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
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CID 891620
N-cycloheptyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1223091
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
Methyl 3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]benzoate
CID 44573578
N-cyclohexyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1223159
[2-(Benzylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4193806
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
N-{1-[(Benzyloxymethyl-cyano-methyl)-carbamoyl]-2-m-tolyl-ethyl}-2,4-difluoro-benzamide
CID 10874453
benzyl N-[[3-methyl-2-[2-methyl-6-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate
CID 11826630
3-cyano-N-[3-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propyl]benzamide
CID 57403173

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide (CID 31282035) is N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide?
The InChIKey is QCQSXXQCOILMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-12-13-5-4-7-15(11-13)17(20)19-10-9-14-6-2-3-8-16(14)18/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide?
N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide has a molecular weight of 287.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 31282035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).