2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

C15H21FN2O — CID 79313807

IUPAC2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCc1ccc(F)c(C(=O)N(C)CC2CCCN2C)c1
InChIInChI=1S/C15H21FN2O/c1-11-6-7-14(16)13(9-11)15(19)18(3)10-12-5-4-8-17(12)2/h6-7,9,12H,4-5,8,10H2,1-3H3
InChIKeyUSCRTLSCSYSHNJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.30
Rot. Bonds3

About 2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 79313807) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID79313807
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCc1ccc(F)c(C(=O)N(C)CC2CCCN2C)c1
InChIInChI=1S/C15H21FN2O/c1-11-6-7-14(16)13(9-11)15(19)18(3)10-12-5-4-8-17(12)2/h6-7,9,12H,4-5,8,10H2,1-3H3
InChIKeyUSCRTLSCSYSHNJ-UHFFFAOYSA-N
XLogP2.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303281
2-fluoro-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 81480578
2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79318747
2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 154739282
2-hydroxy-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79319088
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79310466
3,5-dihydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 107704093
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine
CID 99931195
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2R)-1-methylpiperidin-2-yl]methanamine
CID 99931196
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide
CID 24743426

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (CID 79313807) is 2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is Cc1ccc(F)c(C(=O)N(C)CC2CCCN2C)c1.
What is the InChIKey of 2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is USCRTLSCSYSHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-6-7-14(16)13(9-11)15(19)18(3)10-12-5-4-8-17(12)2/h6-7,9,12H,4-5,8,10H2,1-3H3.
What are the key properties of 2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 264.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 79313807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).