N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide

C14H19FN2O — CID 62514257

IUPACN-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1cc(C)ccc1F)C1CCNC1
InChIInChI=1S/C14H19FN2O/c1-3-17(11-6-7-16-9-11)14(18)12-8-10(2)4-5-13(12)15/h4-5,8,11,16H,3,6-7,9H2,1-2H3
InChIKeyDJXOAHQGKYAPTH-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.96
Rot. Bonds3

About N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide

N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 62514257) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID62514257
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1cc(C)ccc1F)C1CCNC1
InChIInChI=1S/C14H19FN2O/c1-3-17(11-6-7-16-9-11)14(18)12-8-10(2)4-5-13(12)15/h4-5,8,11,16H,3,6-7,9H2,1-2H3
InChIKeyDJXOAHQGKYAPTH-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
N-ethyl-2,4-dimethyl-N-piperidin-4-ylbenzamide
CID 60807085
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
N-ethyl-2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 60807715
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
CID 60806689
N-(azetidin-3-yl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 66181476
N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806343
N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 79217551
N-ethyl-5-fluoro-2-methyl-N-piperidin-4-ylbenzamide
CID 63048793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide (CID 62514257) is N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide is CCN(C(=O)c1cc(C)ccc1F)C1CCNC1.
What is the InChIKey of N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is DJXOAHQGKYAPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-3-17(11-6-7-16-9-11)14(18)12-8-10(2)4-5-13(12)15/h4-5,8,11,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide?
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 62514257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).