N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide

C13H15FN2O — CID 63047743

IUPACN-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide
SMILESCCN(CCC#N)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H15FN2O/c1-3-16(8-4-7-15)13(17)12-9-11(14)6-5-10(12)2/h5-6,9H,3-4,8H2,1-2H3
InChIKeySFQZRCPOANSBEY-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.51
Rot. Bonds4

About N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide

N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide (PubChem CID 63047743) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide
PubChem CID63047743
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide
SMILESCCN(CCC#N)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H15FN2O/c1-3-16(8-4-7-15)13(17)12-9-11(14)6-5-10(12)2/h5-6,9H,3-4,8H2,1-2H3
InChIKeySFQZRCPOANSBEY-UHFFFAOYSA-N
XLogP2.51
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 62611797
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
N-ethyl-5-fluoro-2-methyl-N-prop-2-ynylbenzamide
CID 78971177
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465
N-(2-cyanoethyl)-N-ethyl-2-methyl-5-nitrobenzamide
CID 54992866
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 102705262
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzamide
CID 60955236
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 63049826
ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
CID 61073584
N-(1-cyanopropan-2-yl)-5-fluoro-N,2-dimethylbenzamide
CID 63224589
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503533
N-(2-cyanoethyl)-N-ethyl-3-methylfuran-2-carboxamide
CID 55208450

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide (CID 63047743) is N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide is CCN(CCC#N)C(=O)c1cc(F)ccc1C.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide?
The InChIKey is SFQZRCPOANSBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-16(8-4-7-15)13(17)12-9-11(14)6-5-10(12)2/h5-6,9H,3-4,8H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide?
N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide has a molecular weight of 234.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 63047743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).