2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide

C16H23FN2O2 — CID 106609970

IUPAC2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC2CCCN2)C(C)C)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-11(2)19(10-12-5-4-8-18-12)16(20)14-7-6-13(21-3)9-15(14)17/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3
InChIKeyJREBHFOAJBTEPM-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.44
Rot. Bonds5

About 2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide

2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106609970) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106609970
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC2CCCN2)C(C)C)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-11(2)19(10-12-5-4-8-18-12)16(20)14-7-6-13(21-3)9-15(14)17/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3
InChIKeyJREBHFOAJBTEPM-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607793
4-bromo-2-hydroxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609548
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106621980
2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626455
2-fluoro-4-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512916
2-bromo-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983263
2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610027
3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626366
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106609608
5-bromo-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 107730032

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106609970) is 2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide is COc1ccc(C(=O)N(CC2CCCN2)C(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is JREBHFOAJBTEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(2)19(10-12-5-4-8-18-12)16(20)14-7-6-13(21-3)9-15(14)17/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3.
What are the key properties of 2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide?
2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 294.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106609970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).