N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide

C14H19FN2O — CID 106609422

IUPACN-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-2-17(10-13-4-3-9-16-13)14(18)11-5-7-12(15)8-6-11/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyOINXGOMZNGNNOP-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.04
Rot. Bonds4

About N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide

N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106609422) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106609422
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCN1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-2-17(10-13-4-3-9-16-13)14(18)11-5-7-12(15)8-6-11/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyOINXGOMZNGNNOP-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609044
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106609254
N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106626185
N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide
CID 106626088
N-(cyclopropylmethyl)-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608699
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106608884

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106609422) is N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide is CCN(CC1CCCN1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is OINXGOMZNGNNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-17(10-13-4-3-9-16-13)14(18)11-5-7-12(15)8-6-11/h5-8,13,16H,2-4,9-10H2,1H3.
What are the key properties of N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 250.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106609422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).