2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid

C14H17FN2O4 — CID 103339889

IUPAC2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid
SMILESC=CCN(CCOC)C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H17FN2O4/c1-3-6-17(7-8-21-2)14(20)16-10-4-5-12(15)11(9-10)13(18)19/h3-5,9H,1,6-8H2,2H3,(H,16,20)(H,18,19)
InChIKeyKWQNLVMXBVXBHA-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.19
Rot. Bonds7

About 2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid

2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid (PubChem CID 103339889) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid
PubChem CID103339889
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid
SMILESC=CCN(CCOC)C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H17FN2O4/c1-3-6-17(7-8-21-2)14(20)16-10-4-5-12(15)11(9-10)13(18)19/h3-5,9H,1,6-8H2,2H3,(H,16,20)(H,18,19)
InChIKeyKWQNLVMXBVXBHA-UHFFFAOYSA-N
XLogP2.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.19
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-[bis(prop-2-enyl)carbamoylamino]-2-methylbenzoic acid
CID 63654218
3-chloro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 103339672
4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209575
3-(3-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111475913
2-bromo-5-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 115296787
2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271553
2-[(4-fluoro-3-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 114840318
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438
2-[(3-fluoro-4-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276907
2-fluoro-5-[[2-(prop-2-enylamino)acetyl]amino]benzoic acid
CID 79285678
5-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 79377238
3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431069

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid (CID 103339889) is 2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid is C=CCN(CCOC)C(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid?
The InChIKey is KWQNLVMXBVXBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-3-6-17(7-8-21-2)14(20)16-10-4-5-12(15)11(9-10)13(18)19/h3-5,9H,1,6-8H2,2H3,(H,16,20)(H,18,19).
What are the key properties of 2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid?
2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid has a molecular weight of 296.30 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 103339889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).