1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid

C28H21NO2 — CID 58470814

IUPAC1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1-c1c(NCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C28H21NO2/c30-28(31)24-16-14-20-10-4-6-12-22(20)26(24)27-23-13-7-5-11-21(23)15-17-25(27)29-18-19-8-2-1-3-9-19/h1-17,29H,18H2,(H,30,31)
InChIKeyGFMDZKVTKUXTLK-UHFFFAOYSA-N
MW403.48 g/mol
LogP6.97
Rot. Bonds5

About 1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid

1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid (PubChem CID 58470814) has the molecular formula C28H21NO2 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
PubChem CID58470814
Molecular FormulaC28H21NO2
Molecular Weight403.48 g/mol
Exact Mass403.16
IUPAC Name1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1-c1c(NCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C28H21NO2/c30-28(31)24-16-14-20-10-4-6-12-22(20)26(24)27-23-13-7-5-11-21(23)15-17-25(27)29-18-19-8-2-1-3-9-19/h1-17,29H,18H2,(H,30,31)
InChIKeyGFMDZKVTKUXTLK-UHFFFAOYSA-N
XLogP6.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 58761741
bis(1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid);bis(1,4-dioxane)
CID 139146760
1-N,4-N-dibenzylnaphthalene-1,4-diamine
CID 139621317
1,4,5,8-tetrakis(benzylamino)anthracene-9,10-dione
CID 154150456
1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 14340492
3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 11810055
N-benzylpyren-1-amine
CID 15397065
1-[2-[methoxycarbonyl(methyl)amino]naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 132557568
8-(benzylamino)quinoline-5-carboxamide
CID 58516198
N-ethyl-1-[2-(ethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 13346234
1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]naphthalene-2-carboxylic acid
CID 154721514
2-hydroxy-N-[1-[2-[(2-hydroxy-2,2-diphenylacetyl)amino]naphthalen-1-yl]naphthalen-2-yl]-2,2-diphenylacetamide
CID 177433826

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid?
The IUPAC name of 1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid (CID 58470814) is 1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid is O=C(O)c1ccc2ccccc2c1-c1c(NCc2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid?
The InChIKey is GFMDZKVTKUXTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO2/c30-28(31)24-16-14-20-10-4-6-12-22(20)26(24)27-23-13-7-5-11-21(23)15-17-25(27)29-18-19-8-2-1-3-9-19/h1-17,29H,18H2,(H,30,31).
What are the key properties of 1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid?
1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid has a molecular weight of 403.48 g/mol, XLogP of 6.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 58470814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).