2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid

C19H16N2O3 — CID 24818585

IUPAC2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C19H16N2O3/c22-18(23)12-13-8-10-15(11-9-13)20-19(24)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H,22,23)(H2,20,21,24)
InChIKeyCLHZXANLWINATB-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.11
Rot. Bonds4

About 2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid

2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid (PubChem CID 24818585) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid
PubChem CID24818585
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C19H16N2O3/c22-18(23)12-13-8-10-15(11-9-13)20-19(24)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H,22,23)(H2,20,21,24)
InChIKeyCLHZXANLWINATB-UHFFFAOYSA-N
XLogP4.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid (CID 24818585) is 2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid?
The InChIKey is CLHZXANLWINATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18(23)12-13-8-10-15(11-9-13)20-19(24)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H,22,23)(H2,20,21,24).
What are the key properties of 2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid?
2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalen-1-ylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 24818585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).