5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid

C14H13FN2O4 — CID 61024175

IUPAC5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)Nc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C14H13FN2O4/c1-8-12(13(18)19)6-11(21-8)7-16-14(20)17-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyQKIFUJMDXQKMRH-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.75
Rot. Bonds4

About 5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61024175) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61024175
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)Nc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C14H13FN2O4/c1-8-12(13(18)19)6-11(21-8)7-16-14(20)17-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyQKIFUJMDXQKMRH-UHFFFAOYSA-N
XLogP2.75
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024174
5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024294
5-[(2,2-difluoroethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 115408082
5-[(2-chloroprop-2-enylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113464825
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
2-methyl-5-[[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]furan-3-carboxylic acid
CID 61465569
5-[(3-bromo-4-fluoroanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103266448
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61197084
5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61202805
2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61189375
5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103235795

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 61024175) is 5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)Nc2ccc(F)cc2)cc1C(=O)O.
What is the InChIKey of 5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is QKIFUJMDXQKMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-8-12(13(18)19)6-11(21-8)7-16-14(20)17-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61024175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).