2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid

C15H13ClFNO2 — CID 115461558

IUPAC2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNc1cccc(Cl)c1F
InChIInChI=1S/C15H13ClFNO2/c16-12-6-3-7-13(15(12)17)18-9-11-5-2-1-4-10(11)8-14(19)20/h1-7,18H,8-9H2,(H,19,20)
InChIKeySVSMJMBZMOYESN-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.72
Rot. Bonds5

About 2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid

2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid (PubChem CID 115461558) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid
PubChem CID115461558
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNc1cccc(Cl)c1F
InChIInChI=1S/C15H13ClFNO2/c16-12-6-3-7-13(15(12)17)18-9-11-5-2-1-4-10(11)8-14(19)20/h1-7,18H,8-9H2,(H,19,20)
InChIKeySVSMJMBZMOYESN-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid
CID 115462106
4-(3-chloro-2-fluoroanilino)butanoic acid
CID 28969211
2-[2-[(2-chloroanilino)methyl]phenyl]acetamide
CID 21235296
3-[(3-chloro-2-fluoroanilino)methyl]benzoic acid
CID 103236447
2-(3-chloro-2-fluoroanilino)-N-phenylacetamide
CID 42070736
2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid
CID 64694791
2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
CID 81313237
N-(3-chloro-2-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 30929902
2-[(3-chloro-2-fluoroanilino)methyl]furan-3-carboxylic acid
CID 103236435
methyl 3-bromo-4-[(3-chloro-2-fluoroanilino)methyl]benzoate
CID 102766487
2-tert-butyl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487326

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid (CID 115461558) is 2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNc1cccc(Cl)c1F.
What is the InChIKey of 2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid?
The InChIKey is SVSMJMBZMOYESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-12-6-3-7-13(15(12)17)18-9-11-5-2-1-4-10(11)8-14(19)20/h1-7,18H,8-9H2,(H,19,20).
What are the key properties of 2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid?
2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid has a molecular weight of 293.73 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid is sourced from PubChem (CID 115461558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).