ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate

C14H16INO3 — CID 61400649

IUPACethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccc(I)c1)C1CC1
InChIInChI=1S/C14H16INO3/c1-2-19-13(17)9-16(12-6-7-12)14(18)10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3
InChIKeyJRLDQMTZXWWURX-UHFFFAOYSA-N
MW373.19 g/mol
LogP2.46
Rot. Bonds5

About ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate

ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate (PubChem CID 61400649) has the molecular formula C14H16INO3 and a molecular weight of 373.19 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
PubChem CID61400649
Molecular FormulaC14H16INO3
Molecular Weight373.19 g/mol
Exact Mass373.02
IUPAC Nameethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccc(I)c1)C1CC1
InChIInChI=1S/C14H16INO3/c1-2-19-13(17)9-16(12-6-7-12)14(18)10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3
InChIKeyJRLDQMTZXWWURX-UHFFFAOYSA-N
XLogP2.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
CID 60953815
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide
CID 47212490
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
CID 103826852
ethyl 2-[(4-bromo-3-nitrobenzoyl)-cyclopropylamino]acetate
CID 78904452
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
CID 115694608
ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
CID 61410130
N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 60674055
ethyl 2-[cyclopropyl(1,2,5-thiadiazole-3-carbonyl)amino]acetate
CID 54983831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate (CID 61400649) is ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate is CCOC(=O)CN(C(=O)c1cccc(I)c1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate?
The InChIKey is JRLDQMTZXWWURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO3/c1-2-19-13(17)9-16(12-6-7-12)14(18)10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate?
ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate has a molecular weight of 373.19 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate is sourced from PubChem (CID 61400649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).