N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide

C15H15FN2O3 — CID 142980593

IUPACN-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide
SMILESC#CCOc1ccc(CCC(=O)NCC#N)cc1OCF
InChIInChI=1S/C15H15FN2O3/c1-2-9-20-13-5-3-12(10-14(13)21-11-16)4-6-15(19)18-8-7-17/h1,3,5,10H,4,6,8-9,11H2,(H,18,19)
InChIKeyNSSUUNSKHLTXIF-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.58
Rot. Bonds8

About N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide

N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide (PubChem CID 142980593) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide
PubChem CID142980593
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide
SMILESC#CCOc1ccc(CCC(=O)NCC#N)cc1OCF
InChIInChI=1S/C15H15FN2O3/c1-2-9-20-13-5-3-12(10-14(13)21-11-16)4-6-15(19)18-8-7-17/h1,3,5,10H,4,6,8-9,11H2,(H,18,19)
InChIKeyNSSUUNSKHLTXIF-UHFFFAOYSA-N
XLogP1.58
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)propanamide
CID 142980584
N-(cyanomethyl)-3-[4-(2-fluoroethoxy)-3-methoxyphenyl]propanamide
CID 142980585
3-[3,4-bis(prop-2-ynoxy)phenyl]-N-(1-cyanoethyl)propanamide
CID 58655007
N-(1-cyanoethyl)-3-[3-(2-fluoroethoxy)-4-prop-2-ynoxyphenyl]propanamide
CID 58655010
methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide
CID 143079492
N-(cyanomethyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-fluoropropanamide
CID 142980607
N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide
CID 58655122
N-(1-cyanoethyl)-3-[4-(cyanomethoxy)-3-ethoxyphenyl]propanamide
CID 58655050
3-(2-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
CID 58655121
2-(3,4-dimethoxyphenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-oxoacetamide
CID 18412065
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide?
The IUPAC name of N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide (CID 142980593) is N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide.
What is the SMILES notation for N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide?
The canonical SMILES for N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide is C#CCOc1ccc(CCC(=O)NCC#N)cc1OCF.
What is the InChIKey of N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide?
The InChIKey is NSSUUNSKHLTXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-9-20-13-5-3-12(10-14(13)21-11-16)4-6-15(19)18-8-7-17/h1,3,5,10H,4,6,8-9,11H2,(H,18,19).
What are the key properties of N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide?
N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide has a molecular weight of 290.29 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide is sourced from PubChem (CID 142980593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).