methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate

C11H11ClINO3 — CID 103492717

IUPACmethyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1ccccc1I
InChIInChI=1S/C11H11ClINO3/c1-17-11(16)8(12)6-14-10(15)7-4-2-3-5-9(7)13/h2-5,8H,6H2,1H3,(H,14,15)
InChIKeyBFGMLPPISIXKEK-UHFFFAOYSA-N
MW367.57 g/mol
LogP1.80
Rot. Bonds4

About methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate

methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate (PubChem CID 103492717) has the molecular formula C11H11ClINO3 and a molecular weight of 367.57 g/mol. Its IUPAC name is methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
PubChem CID103492717
Molecular FormulaC11H11ClINO3
Molecular Weight367.57 g/mol
Exact Mass366.95
IUPAC Namemethyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1ccccc1I
InChIInChI=1S/C11H11ClINO3/c1-17-11(16)8(12)6-14-10(15)7-4-2-3-5-9(7)13/h2-5,8H,6H2,1H3,(H,14,15)
InChIKeyBFGMLPPISIXKEK-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate
CID 103492705
N-(3-chloro-4-methoxybutyl)-2-iodobenzamide
CID 106243499
N-(3-chlorobutyl)-2-iodobenzamide
CID 114301785
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 103492759
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate
CID 103492785
methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
CID 103493166
3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid
CID 81065530
methyl (2S)-2-[(2-iodobenzoyl)amino]-4-methylpentanoate
CID 1224241
methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate
CID 103492743
N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide
CID 54938089

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate?
The IUPAC name of methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate (CID 103492717) is methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate is COC(=O)C(Cl)CNC(=O)c1ccccc1I.
What is the InChIKey of methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate?
The InChIKey is BFGMLPPISIXKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINO3/c1-17-11(16)8(12)6-14-10(15)7-4-2-3-5-9(7)13/h2-5,8H,6H2,1H3,(H,14,15).
What are the key properties of methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate?
methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate has a molecular weight of 367.57 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate is sourced from PubChem (CID 103492717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).