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

C10H9ClFNO3 — CID 114488213

IUPAC2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid
SMILESCN(C=O)C(C(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C10H9ClFNO3/c1-13(5-14)9(10(15)16)6-3-2-4-7(11)8(6)12/h2-5,9H,1H3,(H,15,16)
InChIKeyZLCCQHURIMOFIZ-UHFFFAOYSA-N
MW245.64 g/mol
LogP1.69
Rot. Bonds4

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

2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid (PubChem CID 114488213) has the molecular formula C10H9ClFNO3 and a molecular weight of 245.64 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid
PubChem CID114488213
Molecular FormulaC10H9ClFNO3
Molecular Weight245.64 g/mol
Exact Mass245.03
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid
SMILESCN(C=O)C(C(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C10H9ClFNO3/c1-13(5-14)9(10(15)16)6-3-2-4-7(11)8(6)12/h2-5,9H,1H3,(H,15,16)
InChIKeyZLCCQHURIMOFIZ-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 51.69
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-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488209
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
2-(3-chloro-2-fluorophenyl)-2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 104930279
4-(3-chloro-2-fluorophenyl)-4-hydroxy-2-methylbutanoic acid
CID 114488545
tert-butyl-[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 66671778
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
2-(3-chloro-2-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butanal
CID 145289417
2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde
CID 130624407
4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid
CID 114489141
(3S)-3-acetamido-3-(3-chloro-2-fluorophenyl)propanoic acid
CID 104930292

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid (CID 114488213) is 2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid is CN(C=O)C(C(=O)O)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid?
The InChIKey is ZLCCQHURIMOFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3/c1-13(5-14)9(10(15)16)6-3-2-4-7(11)8(6)12/h2-5,9H,1H3,(H,15,16).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid?
2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid has a molecular weight of 245.64 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-2-[formyl(methyl)amino]acetic acid is sourced from PubChem (CID 114488213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).