2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide

C15H20FNO3 — CID 115760198

IUPAC2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
SMILESCOc1cccc(F)c1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C15H20FNO3/c1-17(10-15(19)8-3-4-9-15)14(18)13-11(16)6-5-7-12(13)20-2/h5-7,19H,3-4,8-10H2,1-2H3
InChIKeyXYLZMDAXDKWEPC-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.21
Rot. Bonds4

About 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide

2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide (PubChem CID 115760198) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
PubChem CID115760198
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
SMILESCOc1cccc(F)c1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C15H20FNO3/c1-17(10-15(19)8-3-4-9-15)14(18)13-11(16)6-5-7-12(13)20-2/h5-7,19H,3-4,8-10H2,1-2H3
InChIKeyXYLZMDAXDKWEPC-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115759842
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 115760068
N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 115760287
3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid
CID 65432056
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115759983
N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 102638292
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193
2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759779
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide
CID 114760377
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide
CID 115759730

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide?
The IUPAC name of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide (CID 115760198) is 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide is COc1cccc(F)c1C(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide?
The InChIKey is XYLZMDAXDKWEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-17(10-15(19)8-3-4-9-15)14(18)13-11(16)6-5-7-12(13)20-2/h5-7,19H,3-4,8-10H2,1-2H3.
What are the key properties of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide?
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide has a molecular weight of 281.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide is sourced from PubChem (CID 115760198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).