N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

C17H25FN2O — CID 106611857

IUPACN-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C17H25FN2O/c1-3-4-10-20(12-15-6-5-9-19-15)17(21)16-11-14(18)8-7-13(16)2/h7-8,11,15,19H,3-6,9-10,12H2,1-2H3
InChIKeyZYVGRTKGMHUVIB-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.13
Rot. Bonds6

About N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide

N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106611857) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106611857
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCN(CC1CCCN1)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C17H25FN2O/c1-3-4-10-20(12-15-6-5-9-19-15)17(21)16-11-14(18)8-7-13(16)2/h7-8,11,15,19H,3-6,9-10,12H2,1-2H3
InChIKeyZYVGRTKGMHUVIB-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625849
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612084
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612263
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106612185
N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612127
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513769
2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611910

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106611857) is N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCN(CC1CCCN1)C(=O)c1cc(F)ccc1C.
What is the InChIKey of N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is ZYVGRTKGMHUVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-4-10-20(12-15-6-5-9-19-15)17(21)16-11-14(18)8-7-13(16)2/h7-8,11,15,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide?
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 292.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106611857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).