N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide

C17H17FN2O2 — CID 26887091

IUPACN-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O2/c1-12-6-8-13(9-7-12)17(22)20-11-16(21)19-10-14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyVOSCBRMJDMZQOP-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.18
Rot. Bonds5

About N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide

N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 26887091) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
PubChem CID26887091
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O2/c1-12-6-8-13(9-7-12)17(22)20-11-16(21)19-10-14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyVOSCBRMJDMZQOP-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46745022
N-[(2-fluorophenyl)methyl]-2-[(4-methylphenyl)methylamino]acetamide
CID 108997023
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide
CID 112992471
2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 51225001
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide (CID 26887091) is N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is VOSCBRMJDMZQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-6-8-13(9-7-12)17(22)20-11-16(21)19-10-14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 300.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 26887091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).