2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid

C19H15NO3 — CID 6611349

IUPAC2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H15NO3/c21-18(22)12-13-8-10-15(11-9-13)20-19(23)17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H,20,23)(H,21,22)
InChIKeyRUFBMSTUAPVRGK-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.72
Rot. Bonds4

About 2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid

2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid (PubChem CID 6611349) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid
PubChem CID6611349
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H15NO3/c21-18(22)12-13-8-10-15(11-9-13)20-19(23)17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H,20,23)(H,21,22)
InChIKeyRUFBMSTUAPVRGK-UHFFFAOYSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Naptalam
CID 8594
Tamibarotene
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Ro 40-6055
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Bibr 1532
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Tug-469
CID 46941175
Kartogenin
CID 2826191
N-(2-fluorophenyl)naphthalene-2-carboxamide
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4-[(1-Naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid
CID 307406
N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 532199
N-(2-Naphthyl)-1-naphthalenecarboxamide
CID 224149
Ono-AE2-227
CID 5311232

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid (CID 6611349) is 2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid?
The InChIKey is RUFBMSTUAPVRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-18(22)12-13-8-10-15(11-9-13)20-19(23)17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H,20,23)(H,21,22).
What are the key properties of 2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid?
2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid has a molecular weight of 305.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalene-1-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 6611349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).