methyl 2-anilino-2-(3-iodophenyl)acetate

C15H14INO2 — CID 114283019

IUPACmethyl 2-anilino-2-(3-iodophenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C15H14INO2/c1-19-15(18)14(11-6-5-7-12(16)10-11)17-13-8-3-2-4-9-13/h2-10,14,17H,1H3
InChIKeyPKUIBJYXNRCPNM-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.62
Rot. Bonds4

About methyl 2-anilino-2-(3-iodophenyl)acetate

methyl 2-anilino-2-(3-iodophenyl)acetate (PubChem CID 114283019) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is methyl 2-anilino-2-(3-iodophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-anilino-2-(3-iodophenyl)acetate
PubChem CID114283019
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC Namemethyl 2-anilino-2-(3-iodophenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C15H14INO2/c1-19-15(18)14(11-6-5-7-12(16)10-11)17-13-8-3-2-4-9-13/h2-10,14,17H,1H3
InChIKeyPKUIBJYXNRCPNM-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
methyl 2-anilino-2-(3,4-dimethylphenyl)acetate
CID 60990951
methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
CID 17393629
methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
CID 62109863
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid
CID 114283022
methyl 2-chloro-2-(3-iodophenyl)acetate
CID 126977832
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
CID 60991774
methyl 2-anilino-2-(2,6-difluorophenyl)acetate
CID 60991084
methyl 2-[(R)-anilino-(3-methylphenyl)methyl]prop-2-enoate
CID 132560929
methyl 2-[3-(azidomethyl)anilino]-2-phenylacetate
CID 86757685

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-2-(3-iodophenyl)acetate?
The IUPAC name of methyl 2-anilino-2-(3-iodophenyl)acetate (CID 114283019) is methyl 2-anilino-2-(3-iodophenyl)acetate.
What is the SMILES notation for methyl 2-anilino-2-(3-iodophenyl)acetate?
The canonical SMILES for methyl 2-anilino-2-(3-iodophenyl)acetate is COC(=O)C(Nc1ccccc1)c1cccc(I)c1.
What is the InChIKey of methyl 2-anilino-2-(3-iodophenyl)acetate?
The InChIKey is PKUIBJYXNRCPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/c1-19-15(18)14(11-6-5-7-12(16)10-11)17-13-8-3-2-4-9-13/h2-10,14,17H,1H3.
What are the key properties of methyl 2-anilino-2-(3-iodophenyl)acetate?
methyl 2-anilino-2-(3-iodophenyl)acetate has a molecular weight of 367.19 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-2-(3-iodophenyl)acetate is sourced from PubChem (CID 114283019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).