N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide

C16H18FNO2 — CID 57445710

IUPACN-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NCC2CCCC2)cc1F
InChIInChI=1S/C16H18FNO2/c1-2-9-20-15-8-7-13(10-14(15)17)16(19)18-11-12-5-3-4-6-12/h1,7-8,10,12H,3-6,9,11H2,(H,18,19)
InChIKeyODBAQMZHTUOSHM-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.76
Rot. Bonds5

About N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide

N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide (PubChem CID 57445710) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide
PubChem CID57445710
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NCC2CCCC2)cc1F
InChIInChI=1S/C16H18FNO2/c1-2-9-20-15-8-7-13(10-14(15)17)16(19)18-11-12-5-3-4-6-12/h1,7-8,10,12H,3-6,9,11H2,(H,18,19)
InChIKeyODBAQMZHTUOSHM-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445692
N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445704
N-(cyclohexylmethyl)-3-fluoro-5-nitro-4-prop-2-ynoxybenzamide
CID 59243696
N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide
CID 57445670
N-(3-cyclohexylpropyl)-3-methoxy-4-prop-2-ynoxybenzamide
CID 57445676
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
N-(cyclohexylmethyl)-2,3,5-trifluoro-4-prop-2-ynoxybenzamide
CID 59226988
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
3-fluoro-N-(1-hydroxycyclohexyl)-N-methyl-4-prop-2-ynoxybenzamide
CID 87698555
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568
3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide
CID 100566051

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide?
The IUPAC name of N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide (CID 57445710) is N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide is C#CCOc1ccc(C(=O)NCC2CCCC2)cc1F.
What is the InChIKey of N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide?
The InChIKey is ODBAQMZHTUOSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-2-9-20-15-8-7-13(10-14(15)17)16(19)18-11-12-5-3-4-6-12/h1,7-8,10,12H,3-6,9,11H2,(H,18,19).
What are the key properties of N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide?
N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide has a molecular weight of 275.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 57445710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).