2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid

C19H14INO4 — CID 2193275

IUPAC2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C19H14INO4/c20-17-8-6-14(10-16(17)19(23)24)21-18(22)11-25-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)(H,23,24)
InChIKeyVITLCPUDCRRLFK-UHFFFAOYSA-N
MW447.23 g/mol
LogP4.16
Rot. Bonds5

About 2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid

2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid (PubChem CID 2193275) has the molecular formula C19H14INO4 and a molecular weight of 447.23 g/mol. Its IUPAC name is 2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
PubChem CID2193275
Molecular FormulaC19H14INO4
Molecular Weight447.23 g/mol
Exact Mass447.00
IUPAC Name2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C19H14INO4/c20-17-8-6-14(10-16(17)19(23)24)21-18(22)11-25-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)(H,23,24)
InChIKeyVITLCPUDCRRLFK-UHFFFAOYSA-N
XLogP4.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.23
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1107335
N-[4-(carbamoylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 33152788
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-(3-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16788601
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 21212389
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1370829
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]-3-phenylpropanamide
CID 17222822

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
The IUPAC name of 2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid (CID 2193275) is 2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid.
What is the SMILES notation for 2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
The canonical SMILES for 2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid is O=C(COc1ccc2ccccc2c1)Nc1ccc(I)c(C(=O)O)c1.
What is the InChIKey of 2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
The InChIKey is VITLCPUDCRRLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14INO4/c20-17-8-6-14(10-16(17)19(23)24)21-18(22)11-25-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)(H,23,24).
What are the key properties of 2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid?
2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid has a molecular weight of 447.23 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid is sourced from PubChem (CID 2193275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).