2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid

C15H14F2N2O2 — CID 114930488

IUPAC2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid
SMILESNc1ccccc1N(CC(=O)O)Cc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O2/c16-11-4-3-5-12(17)10(11)8-19(9-15(20)21)14-7-2-1-6-13(14)18/h1-7H,8-9,18H2,(H,20,21)
InChIKeyZCMLDWHKFUPTCC-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.64
Rot. Bonds5

About 2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid

2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid (PubChem CID 114930488) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid
PubChem CID114930488
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid
SMILESNc1ccccc1N(CC(=O)O)Cc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O2/c16-11-4-3-5-12(17)10(11)8-19(9-15(20)21)14-7-2-1-6-13(14)18/h1-7H,8-9,18H2,(H,20,21)
InChIKeyZCMLDWHKFUPTCC-UHFFFAOYSA-N
XLogP2.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
CID 80696045
2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid
CID 39402744
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751
2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63773832
2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39372088
2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39364504
2-(2-amino-N-[2-(butan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 63118776
2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid
CID 82898998
2-[N-(carboxymethyl)-2-cyano-3-fluoroanilino]acetic acid
CID 79513207
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010
2-(2-amino-N-cyclohexylanilino)acetic acid
CID 63118711
N-[(2,6-difluorophenyl)methyl]-N-methylacetamide
CID 166206862

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid (CID 114930488) is 2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid is Nc1ccccc1N(CC(=O)O)Cc1c(F)cccc1F.
What is the InChIKey of 2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid?
The InChIKey is ZCMLDWHKFUPTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-11-4-3-5-12(17)10(11)8-19(9-15(20)21)14-7-2-1-6-13(14)18/h1-7H,8-9,18H2,(H,20,21).
What are the key properties of 2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid?
2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid has a molecular weight of 292.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid is sourced from PubChem (CID 114930488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).