N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide

C13H16FNO2 — CID 111566124

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide
SMILESC=CCCC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-2-3-8-13(17)15-9-12(16)10-6-4-5-7-11(10)14/h2,4-7,12,16H,1,3,8-9H2,(H,15,17)
InChIKeyDPOWYRJCMMNWAK-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.94
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide (PubChem CID 111566124) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide
PubChem CID111566124
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide
SMILESC=CCCC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c1-2-3-8-13(17)15-9-12(16)10-6-4-5-7-11(10)14/h2,4-7,12,16H,1,3,8-9H2,(H,15,17)
InChIKeyDPOWYRJCMMNWAK-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 47176500
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide
CID 111565790
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide
CID 111566159
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
(2R)-3-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 94888525
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111566233
2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566012
6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133351553
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea
CID 52991200
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
CID 111969990

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide (CID 111566124) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide is C=CCCC(=O)NCC(O)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide?
The InChIKey is DPOWYRJCMMNWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-2-3-8-13(17)15-9-12(16)10-6-4-5-7-11(10)14/h2,4-7,12,16H,1,3,8-9H2,(H,15,17).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide has a molecular weight of 237.27 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide is sourced from PubChem (CID 111566124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).