3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid

C16H13NO3 — CID 103231526

IUPAC3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNc1cccc2ccccc12
InChIInChI=1S/C16H13NO3/c18-16(19)15-12(8-9-20-15)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-9,17H,10H2,(H,18,19)
InChIKeyOCAVIMKMDOFVDL-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.74
Rot. Bonds4

About 3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid

3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid (PubChem CID 103231526) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid
PubChem CID103231526
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNc1cccc2ccccc12
InChIInChI=1S/C16H13NO3/c18-16(19)15-12(8-9-20-15)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-9,17H,10H2,(H,18,19)
InChIKeyOCAVIMKMDOFVDL-UHFFFAOYSA-N
XLogP3.74
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluoroanilino)methyl]furan-2-carboxylic acid
CID 103235449
3-[(2,6-diethylanilino)methyl]furan-2-carboxylic acid
CID 103248262
3-methyl-5-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid
CID 103231536
3-[(2-fluoro-5-methylanilino)methyl]furan-2-carboxylic acid
CID 103236587
3-[(5-bromo-2,4-difluoroanilino)methyl]furan-2-carboxylic acid
CID 103268896
4-[(naphthalen-1-ylamino)methyl]benzene-1,2,3-triol
CID 103953912
3-[(2-chloro-5-methoxyanilino)methyl]furan-2-carboxylic acid
CID 103243582
methyl 3-[(2-cyanoanilino)methyl]furan-2-carboxylate
CID 43425461
3-[(1-phenylpropylamino)methyl]furan-2-carboxylic acid
CID 103248056
3-[(3,3-dimethylbutan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103265230
3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]furan-2-carboxylic acid
CID 103232395
3-(naphthalen-2-ylsulfinylmethyl)furan-2-carboxylic acid
CID 61302770

Frequently Asked Questions

What is the IUPAC name of 3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid (CID 103231526) is 3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid is O=C(O)c1occc1CNc1cccc2ccccc12.
What is the InChIKey of 3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid?
The InChIKey is OCAVIMKMDOFVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-16(19)15-12(8-9-20-15)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-9,17H,10H2,(H,18,19).
What are the key properties of 3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid?
3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103231526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).