(E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide

C22H22F5NO2 — CID 58111774

IUPAC(E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCCOc1cc(C(F)(F)F)ccc1/C=C/C(=O)N[C@H](C)c1cc(F)c(C)c(F)c1
InChIInChI=1S/C22H22F5NO2/c1-4-9-30-20-12-17(22(25,26)27)7-5-15(20)6-8-21(29)28-14(3)16-10-18(23)13(2)19(24)11-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)/b8-6+/t14-/m1/s1
InChIKeySRHALPZGBYLECI-IZPAUZPXSA-N
MW427.41 g/mol
LogP5.97
Rot. Bonds7

About (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 58111774) has the molecular formula C22H22F5NO2 and a molecular weight of 427.41 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID58111774
Molecular FormulaC22H22F5NO2
Molecular Weight427.41 g/mol
Exact Mass427.16
IUPAC Name(E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCCOc1cc(C(F)(F)F)ccc1/C=C/C(=O)N[C@H](C)c1cc(F)c(C)c(F)c1
InChIInChI=1S/C22H22F5NO2/c1-4-9-30-20-12-17(22(25,26)27)7-5-15(20)6-8-21(29)28-14(3)16-10-18(23)13(2)19(24)11-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)/b8-6+/t14-/m1/s1
InChIKeySRHALPZGBYLECI-IZPAUZPXSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.41
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 66855956
(E)-3-[2-butan-2-yloxy-4-(trifluoromethyl)phenyl]-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]prop-2-enamide
CID 58111818
(E)-3-[2-butoxy-4-(trifluoromethyl)phenyl]-N-[(3,5-difluoro-4-methylphenyl)methyl]prop-2-enamide
CID 58111834
(E)-N-[(3-ethynyl-5-fluoro-4-methylphenyl)methyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 58111812
(E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-(4-fluoro-2-propylphenyl)prop-2-enamide
CID 58111801
(E)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]propyl]-3-[2-ethoxy-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 88983397
(E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 58111790
(E)-3-[2-butan-2-yloxy-4-(trifluoromethyl)phenyl]-N-[1-(3,5-difluorophenyl)propan-2-yl]prop-2-enamide
CID 143840703
(E)-3-[2-(difluoromethoxy)phenyl]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]prop-2-enamide
CID 55747210
N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 74936901
N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-(propylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 68779710
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 55748515

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide (CID 58111774) is (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide is CCCOc1cc(C(F)(F)F)ccc1/C=C/C(=O)N[C@H](C)c1cc(F)c(C)c(F)c1.
What is the InChIKey of (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is SRHALPZGBYLECI-IZPAUZPXSA-N. The full InChI is InChI=1S/C22H22F5NO2/c1-4-9-30-20-12-17(22(25,26)27)7-5-15(20)6-8-21(29)28-14(3)16-10-18(23)13(2)19(24)11-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)/b8-6+/t14-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 427.41 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[2-propoxy-4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 58111774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).