methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate

C11H10ClF2NO3 — CID 103492785

IUPACmethyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H10ClF2NO3/c1-18-11(17)9(12)5-15-10(16)6-2-7(13)4-8(14)3-6/h2-4,9H,5H2,1H3,(H,15,16)
InChIKeyOYZAJHVAXMWFKD-UHFFFAOYSA-N
MW277.65 g/mol
LogP1.48
Rot. Bonds4

About methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate

methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate (PubChem CID 103492785) has the molecular formula C11H10ClF2NO3 and a molecular weight of 277.65 g/mol. Its IUPAC name is methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate
PubChem CID103492785
Molecular FormulaC11H10ClF2NO3
Molecular Weight277.65 g/mol
Exact Mass277.03
IUPAC Namemethyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate
SMILESCOC(=O)C(Cl)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H10ClF2NO3/c1-18-11(17)9(12)5-15-10(16)6-2-7(13)4-8(14)3-6/h2-4,9H,5H2,1H3,(H,15,16)
InChIKeyOYZAJHVAXMWFKD-UHFFFAOYSA-N
XLogP1.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
CID 55025954
methyl 2-chloro-3-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 103492768
methyl 2-chloro-3-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate
CID 103492989
3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107464
N-(2-aminopentyl)-3,5-difluorobenzamide
CID 115737672
methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate
CID 103492743
methyl (2S)-2-[(3,5-difluorobenzoyl)amino]propanoate
CID 47337377
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
methyl 2-chloro-3-[(3-nitrobenzoyl)amino]propanoate
CID 103493027
methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
CID 103492717
methyl 3-[(4-butoxybenzoyl)amino]-2-chloropropanoate
CID 103492843
methyl 2-[(3,5-difluorobenzoyl)amino]-3-methylbutanoate
CID 43406016

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate?
The IUPAC name of methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate (CID 103492785) is methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate is COC(=O)C(Cl)CNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate?
The InChIKey is OYZAJHVAXMWFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO3/c1-18-11(17)9(12)5-15-10(16)6-2-7(13)4-8(14)3-6/h2-4,9H,5H2,1H3,(H,15,16).
What are the key properties of methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate?
methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate has a molecular weight of 277.65 g/mol, XLogP of 1.48, 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-[(3,5-difluorobenzoyl)amino]propanoate is sourced from PubChem (CID 103492785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).