N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C22H20F3NO3 — CID 86933889

IUPACN-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESC#CCOc1cc(CNC(=O)C2CC2c2cccc(C(F)(F)F)c2)ccc1OC
InChIInChI=1S/C22H20F3NO3/c1-3-9-29-20-10-14(7-8-19(20)28-2)13-26-21(27)18-12-17(18)15-5-4-6-16(11-15)22(23,24)25/h1,4-8,10-11,17-18H,9,12-13H2,2H3,(H,26,27)
InChIKeySKUZXCHINMSTEW-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.15
Rot. Bonds7

About N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 86933889) has the molecular formula C22H20F3NO3 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID86933889
Molecular FormulaC22H20F3NO3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC NameN-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESC#CCOc1cc(CNC(=O)C2CC2c2cccc(C(F)(F)F)c2)ccc1OC
InChIInChI=1S/C22H20F3NO3/c1-3-9-29-20-10-14(7-8-19(20)28-2)13-26-21(27)18-12-17(18)15-5-4-6-16(11-15)22(23,24)25/h1,4-8,10-11,17-18H,9,12-13H2,2H3,(H,26,27)
InChIKeySKUZXCHINMSTEW-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]oxamide
CID 86881191
cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95620997
trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96515120
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 2862508
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795
N-[(3,4-dimethoxyphenyl)methyl]-2-iodocyclopropane-1-carboxamide
CID 78158837
4-bromo-N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]benzamide
CID 86878304
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 86880198
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-methyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine
CID 111856476
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55660487
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680359

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 86933889) is N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is C#CCOc1cc(CNC(=O)C2CC2c2cccc(C(F)(F)F)c2)ccc1OC.
What is the InChIKey of N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is SKUZXCHINMSTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO3/c1-3-9-29-20-10-14(7-8-19(20)28-2)13-26-21(27)18-12-17(18)15-5-4-6-16(11-15)22(23,24)25/h1,4-8,10-11,17-18H,9,12-13H2,2H3,(H,26,27).
What are the key properties of N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86933889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).