2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide

C10H10FNO2 — CID 101435729

IUPAC2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide
SMILESC=C(C(N)=O)C(O)c1cccc(F)c1
InChIInChI=1S/C10H10FNO2/c1-6(10(12)14)9(13)7-3-2-4-8(11)5-7/h2-5,9,13H,1H2,(H2,12,14)
InChIKeyWEIDSCJILLDVAB-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.90
Rot. Bonds3

About 2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide

2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide (PubChem CID 101435729) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide
PubChem CID101435729
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide
SMILESC=C(C(N)=O)C(O)c1cccc(F)c1
InChIInChI=1S/C10H10FNO2/c1-6(10(12)14)9(13)7-3-2-4-8(11)5-7/h2-5,9,13H,1H2,(H2,12,14)
InChIKeyWEIDSCJILLDVAB-UHFFFAOYSA-N
XLogP0.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.90
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

Mandelamide
CID 73558
beta-Ethyl-beta-hydroxybenzenepropanamide
CID 64814
(R)-Mandelamide
CID 441254
U-77864
CID 3035779
3-(2-fluorophenyl)-N,3-dihydroxypropanamide
CID 72707600
3-(3-fluorophenyl)-N,3-dihydroxypropanamide
CID 72707603
N,3-dihydroxy-3-[3-(trifluoromethyl)phenyl]propanamide
CID 72707664
3-(4-fluorophenyl)-N,3-dihydroxypropanamide
CID 72707668
N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
CID 72707669
(S)-(+)-Mandelamide
CID 818990
2,4-Hexadienamide, 6-hydroxy-6-phenyl-, (E,E)-
CID 6449395
N,3-dihydroxy-3-phenylpropanamide
CID 71721720

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide?
The IUPAC name of 2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide (CID 101435729) is 2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide.
What is the SMILES notation for 2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide?
The canonical SMILES for 2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide is C=C(C(N)=O)C(O)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide?
The InChIKey is WEIDSCJILLDVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-6(10(12)14)9(13)7-3-2-4-8(11)5-7/h2-5,9,13H,1H2,(H2,12,14).
What are the key properties of 2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide?
2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide has a molecular weight of 195.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)-hydroxymethyl]prop-2-enamide is sourced from PubChem (CID 101435729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).