N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide

C15H15F2NO2 — CID 87698213

IUPACN-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1c(F)cc(C(=O)NC2CC2)c(CC)c1F
InChIInChI=1S/C15H15F2NO2/c1-3-7-20-14-12(16)8-11(10(4-2)13(14)17)15(19)18-9-5-6-9/h1,8-9H,4-7H2,2H3,(H,18,19)
InChIKeyNDOCLIKOZJDSHT-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.43
Rot. Bonds5

About N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide

N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide (PubChem CID 87698213) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide
PubChem CID87698213
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC NameN-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1c(F)cc(C(=O)NC2CC2)c(CC)c1F
InChIInChI=1S/C15H15F2NO2/c1-3-7-20-14-12(16)8-11(10(4-2)13(14)17)15(19)18-9-5-6-9/h1,8-9H,4-7H2,2H3,(H,18,19)
InChIKeyNDOCLIKOZJDSHT-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.43
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-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide
CID 87698457
N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445697
N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445692
3,5-difluoro-N-[(1R,2S)-2-methylcyclohexyl]-4-prop-2-ynoxybenzamide
CID 87640430
N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445704
N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 59290522
[2-[(3,5-difluoro-4-prop-2-ynoxybenzoyl)amino]cyclohexyl] acetate
CID 59290537
2,5-difluoro-N-(2-oxocyclohexyl)-4-prop-2-ynoxybenzamide
CID 59202334
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
2,5-difluoro-N-(4-methoxycyclohexyl)-4-methylbenzamide
CID 136547195
cis-(1S,3R)-3-[(2-ethoxy-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676191
N-[4-(ethylamino)cyclohexyl]-2-fluoro-4-hydroxybenzamide
CID 107675625

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide?
The IUPAC name of N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide (CID 87698213) is N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide is C#CCOc1c(F)cc(C(=O)NC2CC2)c(CC)c1F.
What is the InChIKey of N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide?
The InChIKey is NDOCLIKOZJDSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-3-7-20-14-12(16)8-11(10(4-2)13(14)17)15(19)18-9-5-6-9/h1,8-9H,4-7H2,2H3,(H,18,19).
What are the key properties of N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide?
N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide has a molecular weight of 279.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 87698213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).