2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid

C15H13ClFNO2 — CID 39402744

IUPAC2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid
SMILESO=C(O)CN(Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClFNO2/c16-13-7-4-8-14(17)12(13)9-18(10-15(19)20)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
InChIKeyOHNBAUHOVIOWNM-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.57
Rot. Bonds5

About 2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid

2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid (PubChem CID 39402744) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid
PubChem CID39402744
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid
SMILESO=C(O)CN(Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClFNO2/c16-13-7-4-8-14(17)12(13)9-18(10-15(19)20)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
InChIKeyOHNBAUHOVIOWNM-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid
CID 114322179
3-[N-[(2,6-dichlorophenyl)methyl]anilino]propanoic acid
CID 60839248
2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid
CID 114930488
2-[3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]anilino]acetic acid
CID 81160826
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetic acid
CID 54945915
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
2-[4-chloro-N-[(3-fluorophenyl)methyl]anilino]acetic acid
CID 60834960
phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate
CID 60628603
2-(N-prop-2-ynylanilino)acetic acid
CID 60839094
2-[N-[(4-bromo-2-chlorophenyl)methyl]anilino]acetic acid
CID 104573758
2-[3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]anilino]acetic acid
CID 65058188
2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid
CID 82158643

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid (CID 39402744) is 2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid is O=C(O)CN(Cc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid?
The InChIKey is OHNBAUHOVIOWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-13-7-4-8-14(17)12(13)9-18(10-15(19)20)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20).
What are the key properties of 2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid?
2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid has a molecular weight of 293.73 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid is sourced from PubChem (CID 39402744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).