2-(chloroamino)-3-fluorobenzoic acid

C7H5ClFNO2 — CID 139823776

IUPAC2-(chloroamino)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1NCl
InChIInChI=1S/C7H5ClFNO2/c8-10-6-4(7(11)12)2-1-3-5(6)9/h1-3,10H,(H,11,12)
InChIKeyYIUXWRKIFFKVSB-UHFFFAOYSA-N
MW189.57 g/mol
LogP2.09
Rot. Bonds2

About 2-(chloroamino)-3-fluorobenzoic acid

2-(chloroamino)-3-fluorobenzoic acid (PubChem CID 139823776) has the molecular formula C7H5ClFNO2 and a molecular weight of 189.57 g/mol. Its IUPAC name is 2-(chloroamino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(chloroamino)-3-fluorobenzoic acid
PubChem CID139823776
Molecular FormulaC7H5ClFNO2
Molecular Weight189.57 g/mol
Exact Mass189.00
IUPAC Name2-(chloroamino)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1NCl
InChIInChI=1S/C7H5ClFNO2/c8-10-6-4(7(11)12)2-1-3-5(6)9/h1-3,10H,(H,11,12)
InChIKeyYIUXWRKIFFKVSB-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.57
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 81497353
2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107688173
2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
CID 66257062
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
3-fluoro-2-(4-hydroxybutylamino)benzoic acid
CID 106842392
2-(4-bromo-2,3-dichloroanilino)-3-fluorobenzoic acid
CID 107791147
3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid
CID 63538858
3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 81497920
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589

Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)-3-fluorobenzoic acid?
The IUPAC name of 2-(chloroamino)-3-fluorobenzoic acid (CID 139823776) is 2-(chloroamino)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(chloroamino)-3-fluorobenzoic acid?
The canonical SMILES for 2-(chloroamino)-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1NCl.
What is the InChIKey of 2-(chloroamino)-3-fluorobenzoic acid?
The InChIKey is YIUXWRKIFFKVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO2/c8-10-6-4(7(11)12)2-1-3-5(6)9/h1-3,10H,(H,11,12).
What are the key properties of 2-(chloroamino)-3-fluorobenzoic acid?
2-(chloroamino)-3-fluorobenzoic acid has a molecular weight of 189.57 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)-3-fluorobenzoic acid is sourced from PubChem (CID 139823776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).