3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid

C10H8FNO3 — CID 169460732

IUPAC3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid
SMILESNC(=O)c1ccc(F)cc1C=CC(=O)O
InChIInChI=1S/C10H8FNO3/c11-7-2-3-8(10(12)15)6(5-7)1-4-9(13)14/h1-5H,(H2,12,15)(H,13,14)
InChIKeyHQJWOYYVHSRYMR-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.02
Rot. Bonds3

About 3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid

3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid (PubChem CID 169460732) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid
PubChem CID169460732
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid
SMILESNC(=O)c1ccc(F)cc1C=CC(=O)O
InChIInChI=1S/C10H8FNO3/c11-7-2-3-8(10(12)15)6(5-7)1-4-9(13)14/h1-5H,(H2,12,15)(H,13,14)
InChIKeyHQJWOYYVHSRYMR-UHFFFAOYSA-N
XLogP1.02
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.02
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

2-(3-amino-3-oxoprop-1-enyl)-4-fluorobenzoic acid
CID 169481992
3-(2-amino-5-fluorophenyl)prop-2-enoic acid
CID 123339785
4-fluoro-2-(3-hydroxyprop-1-enyl)benzamide
CID 169453706
3-(2-amino-4-fluorophenyl)prop-2-enoic acid
CID 169460317
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
2-ethenyl-4-fluorobenzamide
CID 122232501
3-(5-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460406
3-(4-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460407
(E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid
CID 46312483
(E)-3-[2-(1-amino-1-oxopropan-2-yl)oxy-5-fluorophenyl]prop-2-enoic acid
CID 107699649
2,4-difluorobenzamide;dihydrochloride
CID 22032026
2-(4-acetamidobut-1-enyl)-4-fluorobenzamide
CID 170489130

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid?
The IUPAC name of 3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid (CID 169460732) is 3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid?
The canonical SMILES for 3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid is NC(=O)c1ccc(F)cc1C=CC(=O)O.
What is the InChIKey of 3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid?
The InChIKey is HQJWOYYVHSRYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-2-3-8(10(12)15)6(5-7)1-4-9(13)14/h1-5H,(H2,12,15)(H,13,14).
What are the key properties of 3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid?
3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid has a molecular weight of 209.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid is sourced from PubChem (CID 169460732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).