methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate

C16H14INO3 — CID 62109863

IUPACmethyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cccc(I)c1)c1ccccc1
InChIInChI=1S/C16H14INO3/c1-21-16(20)14(11-6-3-2-4-7-11)18-15(19)12-8-5-9-13(17)10-12/h2-10,14H,1H3,(H,18,19)
InChIKeyHQTGKZVGNCHHDZ-UHFFFAOYSA-N
MW395.20 g/mol
LogP2.94
Rot. Bonds4

About methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate

methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate (PubChem CID 62109863) has the molecular formula C16H14INO3 and a molecular weight of 395.20 g/mol. Its IUPAC name is methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
PubChem CID62109863
Molecular FormulaC16H14INO3
Molecular Weight395.20 g/mol
Exact Mass395.00
IUPAC Namemethyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cccc(I)c1)c1ccccc1
InChIInChI=1S/C16H14INO3/c1-21-16(20)14(11-6-3-2-4-7-11)18-15(19)12-8-5-9-13(17)10-12/h2-10,14H,1H3,(H,18,19)
InChIKeyHQTGKZVGNCHHDZ-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 52.94
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-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
methyl (2S)-2-[(3-iodobenzoyl)amino]-3-phenylpropanoate
CID 8010917
methyl (2S)-2-[[3-[(2R,3R)-2,3-diphenylcyclopropanecarbonyl]benzoyl]amino]-2-phenylacetate
CID 101168963
methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
CID 106753818
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl 2-anilino-2-(3-iodophenyl)acetate
CID 114283019
methyl 2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetate
CID 607125
methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
CID 71580592
methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate
CID 60609882
methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
CID 17393629

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate (CID 62109863) is methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cccc(I)c1)c1ccccc1.
What is the InChIKey of methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate?
The InChIKey is HQTGKZVGNCHHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO3/c1-21-16(20)14(11-6-3-2-4-7-11)18-15(19)12-8-5-9-13(17)10-12/h2-10,14H,1H3,(H,18,19).
What are the key properties of methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate?
methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate has a molecular weight of 395.20 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate is sourced from PubChem (CID 62109863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).