N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide

C26H32FNO5 — CID 45172070

IUPACN-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide
SMILESCOc1cc(CN(C(=O)c2cccc(F)c2)C2CCCC2)cc(OC)c1OCC1CCCO1
InChIInChI=1S/C26H32FNO5/c1-30-23-13-18(14-24(31-2)25(23)33-17-22-11-6-12-32-22)16-28(21-9-3-4-10-21)26(29)19-7-5-8-20(27)15-19/h5,7-8,13-15,21-22H,3-4,6,9-12,16-17H2,1-2H3
InChIKeyZUDPOQLQZFQVBQ-UHFFFAOYSA-N
MW457.54 g/mol
LogP4.99
Rot. Bonds9

About N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide

N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide (PubChem CID 45172070) has the molecular formula C26H32FNO5 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide
PubChem CID45172070
Molecular FormulaC26H32FNO5
Molecular Weight457.54 g/mol
Exact Mass457.23
IUPAC NameN-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide
SMILESCOc1cc(CN(C(=O)c2cccc(F)c2)C2CCCC2)cc(OC)c1OCC1CCCO1
InChIInChI=1S/C26H32FNO5/c1-30-23-13-18(14-24(31-2)25(23)33-17-22-11-6-12-32-22)16-28(21-9-3-4-10-21)26(29)19-7-5-8-20(27)15-19/h5,7-8,13-15,21-22H,3-4,6,9-12,16-17H2,1-2H3
InChIKeyZUDPOQLQZFQVBQ-UHFFFAOYSA-N
XLogP4.99
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 26326345
N-cyclopentyl-N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 45204859
N-cyclopentyl-N-[[3,5-dimethoxy-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]thiophene-2-sulfonamide
CID 42540428
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 112817367
N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide
CID 6494663
[5-[[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenyl] propane-2-sulfonate
CID 93301820
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60904754
2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961557
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 40871148
N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 43044155

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide?
The IUPAC name of N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide (CID 45172070) is N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide is COc1cc(CN(C(=O)c2cccc(F)c2)C2CCCC2)cc(OC)c1OCC1CCCO1.
What is the InChIKey of N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide?
The InChIKey is ZUDPOQLQZFQVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FNO5/c1-30-23-13-18(14-24(31-2)25(23)33-17-22-11-6-12-32-22)16-28(21-9-3-4-10-21)26(29)19-7-5-8-20(27)15-19/h5,7-8,13-15,21-22H,3-4,6,9-12,16-17H2,1-2H3.
What are the key properties of N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide?
N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide has a molecular weight of 457.54 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 45172070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).