N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide

C10H11FN2O2 — CID 62511254

IUPACN-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC(N)=O)c1
InChIInChI=1S/C10H11FN2O2/c1-6-2-3-8(11)7(4-6)10(15)13-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyQGMPKVLYMIAUCD-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.35
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide

N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide (PubChem CID 62511254) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
PubChem CID62511254
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC NameN-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC(N)=O)c1
InChIInChI=1S/C10H11FN2O2/c1-6-2-3-8(11)7(4-6)10(15)13-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyQGMPKVLYMIAUCD-UHFFFAOYSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-fluoro-5-methylbenzamide
CID 62668199
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide
CID 113245162
2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide
CID 71989711
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
CID 62514075
N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide (CID 62511254) is N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCC(N)=O)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide?
The InChIKey is QGMPKVLYMIAUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-6-2-3-8(11)7(4-6)10(15)13-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide?
N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide has a molecular weight of 210.21 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62511254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).