2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid

C20H17NO3 — CID 6461297

IUPAC2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17NO3/c22-19(21-18-9-6-14(7-10-18)13-20(23)24)12-15-5-8-16-3-1-2-4-17(16)11-15/h1-11H,12-13H2,(H,21,22)(H,23,24)
InChIKeyMKFXLHKRIBRYDY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.65
Rot. Bonds5

About 2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid

2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid (PubChem CID 6461297) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid
PubChem CID6461297
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17NO3/c22-19(21-18-9-6-14(7-10-18)13-20(23)24)12-15-5-8-16-3-1-2-4-17(16)11-15/h1-11H,12-13H2,(H,21,22)(H,23,24)
InChIKeyMKFXLHKRIBRYDY-UHFFFAOYSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
N-(4-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 16849660
2-naphthalen-2-yl-N-pyridin-4-ylacetamide
CID 25336159
N-(4-ethoxyphenyl)-2-naphthalen-2-ylacetamide
CID 2992988
N-[4-(ethylsulfonylamino)phenyl]-2-naphthalen-2-ylacetamide
CID 47067033
2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342
N-(3-hydroxyphenyl)-2-naphthalen-2-ylacetamide
CID 28739776

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid (CID 6461297) is 2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid?
The InChIKey is MKFXLHKRIBRYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-19(21-18-9-6-14(7-10-18)13-20(23)24)12-15-5-8-16-3-1-2-4-17(16)11-15/h1-11H,12-13H2,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid?
2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid has a molecular weight of 319.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid is sourced from PubChem (CID 6461297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).