2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid

C11H11ClFNO3 — CID 114488209

IUPAC2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFNO3/c1-6(15)14(2)10(11(16)17)7-4-3-5-8(12)9(7)13/h3-5,10H,1-2H3,(H,16,17)
InChIKeyIZACMACXTZUGFS-UHFFFAOYSA-N
MW259.66 g/mol
LogP2.08
Rot. Bonds3

About 2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid

2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid (PubChem CID 114488209) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
PubChem CID114488209
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFNO3/c1-6(15)14(2)10(11(16)17)7-4-3-5-8(12)9(7)13/h3-5,10H,1-2H3,(H,16,17)
InChIKeyIZACMACXTZUGFS-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid
CID 114488213
2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid
CID 63703488
2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid
CID 114843777
2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
CID 63703755
2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63704808
2-[acetyl(methyl)amino]-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81146137
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 63701407
2-(3-chloro-2-fluorophenyl)-2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 104930279
2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid
CID 63702725

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid (CID 114488209) is 2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid is CC(=O)N(C)C(C(=O)O)c1cccc(Cl)c1F.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid?
The InChIKey is IZACMACXTZUGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c1-6(15)14(2)10(11(16)17)7-4-3-5-8(12)9(7)13/h3-5,10H,1-2H3,(H,16,17).
What are the key properties of 2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid?
2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid has a molecular weight of 259.66 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid is sourced from PubChem (CID 114488209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).