ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate

C14H15F2NO3 — CID 61410094

IUPACethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C14H15F2NO3/c1-2-20-13(18)8-17(10-4-5-10)14(19)9-3-6-11(15)12(16)7-9/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyZURYVLZRGNXPFS-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate

ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate (PubChem CID 61410094) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
PubChem CID61410094
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Nameethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C14H15F2NO3/c1-2-20-13(18)8-17(10-4-5-10)14(19)9-3-6-11(15)12(16)7-9/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyZURYVLZRGNXPFS-UHFFFAOYSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
CID 60953815
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648
ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
CID 82799836
ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
CID 61400649
ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
CID 115694608
ethyl 4-[(3,4-difluorobenzoyl)-methylamino]piperidine-1-carboxylate
CID 110868280
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
CID 103826852
ethyl 2-[(4-bromo-3-nitrobenzoyl)-cyclopropylamino]acetate
CID 78904452
2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid
CID 63210029
ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate
CID 65434241

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate (CID 61410094) is ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate is CCOC(=O)CN(C(=O)c1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate?
The InChIKey is ZURYVLZRGNXPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-2-20-13(18)8-17(10-4-5-10)14(19)9-3-6-11(15)12(16)7-9/h3,6-7,10H,2,4-5,8H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate?
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate has a molecular weight of 283.27 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate is sourced from PubChem (CID 61410094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).