2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid

C11H11F2NO3 — CID 106528971

IUPAC2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2NO3/c1-2-14(6-15)10(11(16)17)7-3-8(12)5-9(13)4-7/h3-6,10H,2H2,1H3,(H,16,17)
InChIKeyQLKHQMUQETUZHD-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.57
Rot. Bonds5

About 2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid

2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid (PubChem CID 106528971) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid
PubChem CID106528971
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2NO3/c1-2-14(6-15)10(11(16)17)7-3-8(12)5-9(13)4-7/h3-6,10H,2H2,1H3,(H,16,17)
InChIKeyQLKHQMUQETUZHD-UHFFFAOYSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63689435
2-(3,5-difluorophenyl)-2-(dimethylamino)acetic acid
CID 106531816
2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63688329
2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 63688513
2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 55233202
2-(4-chloro-2-fluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 114843784
2-(7-chloro-1,3-benzodioxol-5-yl)-2-[ethyl(formyl)amino]acetic acid
CID 63688696
2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 63687210
2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid
CID 102841092
2-[acetyl(ethyl)amino]-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
CID 115350944
2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid
CID 66129427
2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
CID 63688328

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid?
The IUPAC name of 2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid (CID 106528971) is 2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid is CCN(C=O)C(C(=O)O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid?
The InChIKey is QLKHQMUQETUZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-2-14(6-15)10(11(16)17)7-3-8(12)5-9(13)4-7/h3-6,10H,2H2,1H3,(H,16,17).
What are the key properties of 2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid?
2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid has a molecular weight of 243.21 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid is sourced from PubChem (CID 106528971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).