2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid

C11H10FNO4 — CID 144752286

IUPAC2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid
SMILESC=CCOC(=O)Nc1cccc(C(=O)O)c1F
InChIInChI=1S/C11H10FNO4/c1-2-6-17-11(16)13-8-5-3-4-7(9(8)12)10(14)15/h2-5H,1,6H2,(H,13,16)(H,14,15)
InChIKeyKYCKMENWDITQTD-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.26
Rot. Bonds4

About 2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid

2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid (PubChem CID 144752286) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid
PubChem CID144752286
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid
SMILESC=CCOC(=O)Nc1cccc(C(=O)O)c1F
InChIInChI=1S/C11H10FNO4/c1-2-6-17-11(16)13-8-5-3-4-7(9(8)12)10(14)15/h2-5H,1,6H2,(H,13,16)(H,14,15)
InChIKeyKYCKMENWDITQTD-UHFFFAOYSA-N
XLogP2.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-phenoxy-2-(prop-2-enoxycarbonylamino)benzoic acid
CID 167736844
2-fluoro-3-(prop-2-enoxymethyl)benzoic acid
CID 107119645
2,5-dimethyl-3-(prop-2-enoxycarbonylamino)benzoic acid
CID 167742474
prop-2-enyl 2-(methoxycarbonylamino)benzoate
CID 101058820
prop-2-enyl N-(2-nitrophenyl)carbamate
CID 127503250
2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
CID 61169225
4-(hydroxymethyl)-3-(prop-2-enoxycarbonylamino)benzoic acid
CID 167734701
6-methyl-3-(prop-2-enoxycarbonylamino)pyridine-2-carboxylic acid
CID 68819422
prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate
CID 108745022
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
2-[2-(prop-2-enoxycarbonylamino)ethoxy]benzoic acid
CID 166000723
prop-2-enyl N-(2,4-dimethylphenyl)carbamate
CID 3307281

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid?
The IUPAC name of 2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid (CID 144752286) is 2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid?
The canonical SMILES for 2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid is C=CCOC(=O)Nc1cccc(C(=O)O)c1F.
What is the InChIKey of 2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid?
The InChIKey is KYCKMENWDITQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c1-2-6-17-11(16)13-8-5-3-4-7(9(8)12)10(14)15/h2-5H,1,6H2,(H,13,16)(H,14,15).
What are the key properties of 2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid?
2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid has a molecular weight of 239.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(prop-2-enoxycarbonylamino)benzoic acid is sourced from PubChem (CID 144752286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).