(E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide

C20H22FNO2 — CID 110308972

IUPAC(E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)NCC(C)(O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-3-15(16-7-5-4-6-8-16)13-19(23)22-14-20(2,24)17-9-11-18(21)12-10-17/h4-13,24H,3,14H2,1-2H3,(H,22,23)/b15-13+
InChIKeyHMXWDNRFXRDZJV-FYWRMAATSA-N
MW327.40 g/mol
LogP3.64
Rot. Bonds6

About (E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide

(E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide (PubChem CID 110308972) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide
PubChem CID110308972
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)NCC(C)(O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-3-15(16-7-5-4-6-8-16)13-19(23)22-14-20(2,24)17-9-11-18(21)12-10-17/h4-13,24H,3,14H2,1-2H3,(H,22,23)/b15-13+
InChIKeyHMXWDNRFXRDZJV-FYWRMAATSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide
CID 110410017
(2E)-2-benzylidene-N-[2-(4-fluorophenyl)-2-hydroxypropyl]butanamide
CID 110308997
ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate
CID 110291402
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 71683994
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide
CID 110308956
4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 110308987
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
CID 111337686
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
CID 110629945
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide?
The IUPAC name of (E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide (CID 110308972) is (E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide?
The canonical SMILES for (E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide is CC/C(=C\C(=O)NCC(C)(O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide?
The InChIKey is HMXWDNRFXRDZJV-FYWRMAATSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-3-15(16-7-5-4-6-8-16)13-19(23)22-14-20(2,24)17-9-11-18(21)12-10-17/h4-13,24H,3,14H2,1-2H3,(H,22,23)/b15-13+.
What are the key properties of (E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide?
(E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide has a molecular weight of 327.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide is sourced from PubChem (CID 110308972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).