3-(naphthalen-1-ylcarbamoylamino)benzoic acid

C18H14N2O3 — CID 2811510

IUPAC3-(naphthalen-1-ylcarbamoylamino)benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2O3/c21-17(22)13-7-3-8-14(11-13)19-18(23)20-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,21,22)(H2,19,20,23)
InChIKeyIDHDWBYBMVVKKE-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.18
Rot. Bonds3

About 3-(naphthalen-1-ylcarbamoylamino)benzoic acid

3-(naphthalen-1-ylcarbamoylamino)benzoic acid (PubChem CID 2811510) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-(naphthalen-1-ylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name3-(naphthalen-1-ylcarbamoylamino)benzoic acid
PubChem CID2811510
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name3-(naphthalen-1-ylcarbamoylamino)benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2O3/c21-17(22)13-7-3-8-14(11-13)19-18(23)20-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,21,22)(H2,19,20,23)
InChIKeyIDHDWBYBMVVKKE-UHFFFAOYSA-N
XLogP4.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Naptalam
CID 8594
Phthalanilic acid
CID 78458
Naptalam sodium
CID 23690427
3'-Methylphthalanilic acid
CID 6821
Bibr 1532
CID 9927531
Kartogenin
CID 2826191
4-[(1-Naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid
CID 307406
N-Naphthalen-1-yl-3-nitro-phthalamic acid
CID 746610
2-(((2,3-Dimethylphenyl)amino)carbonyl)benzoic acid
CID 98770
N-(3,4-Xylyl)phthalamic acid
CID 295107
Ono-AE2-227
CID 5311232
2-[3-(Naphthalen-2-yl)propanamido]benzoic acid
CID 11594881

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylcarbamoylamino)benzoic acid?
The IUPAC name of 3-(naphthalen-1-ylcarbamoylamino)benzoic acid (CID 2811510) is 3-(naphthalen-1-ylcarbamoylamino)benzoic acid.
What is the SMILES notation for 3-(naphthalen-1-ylcarbamoylamino)benzoic acid?
The canonical SMILES for 3-(naphthalen-1-ylcarbamoylamino)benzoic acid is O=C(Nc1cccc(C(=O)O)c1)Nc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylcarbamoylamino)benzoic acid?
The InChIKey is IDHDWBYBMVVKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-17(22)13-7-3-8-14(11-13)19-18(23)20-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,21,22)(H2,19,20,23).
What are the key properties of 3-(naphthalen-1-ylcarbamoylamino)benzoic acid?
3-(naphthalen-1-ylcarbamoylamino)benzoic acid has a molecular weight of 306.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylcarbamoylamino)benzoic acid is sourced from PubChem (CID 2811510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).