1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid

C14H14FN3O3 — CID 107497236

IUPAC1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C14H14FN3O3/c15-11-3-1-2-10(6-11)7-13(19)16-4-5-18-8-12(14(20)21)17-9-18/h1-3,6,8-9H,4-5,7H2,(H,16,19)(H,20,21)
InChIKeyFLJWONYHXVLRHF-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.08
Rot. Bonds6

About 1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid

1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107497236) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107497236
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C14H14FN3O3/c15-11-3-1-2-10(6-11)7-13(19)16-4-5-18-8-12(14(20)21)17-9-18/h1-3,6,8-9H,4-5,7H2,(H,16,19)(H,20,21)
InChIKeyFLJWONYHXVLRHF-UHFFFAOYSA-N
XLogP1.08
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497186
1-[2-[[2-(3-aminophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107500327
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497359
1-[2-[(2-bromo-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497035
1-[2-[(2,6-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496698
1-[2-[(3-chloro-4-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496672
1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497519
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 167926268
1-[2-(2-cyano-4-fluoroanilino)ethyl]imidazole-4-carboxylic acid
CID 107498634
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid (CID 107497236) is 1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid is O=C(Cc1cccc(F)c1)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is FLJWONYHXVLRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-11-3-1-2-10(6-11)7-13(19)16-4-5-18-8-12(14(20)21)17-9-18/h1-3,6,8-9H,4-5,7H2,(H,16,19)(H,20,21).
What are the key properties of 1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).