2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid

C14H17F2NO2 — CID 54892642

IUPAC2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
SMILESO=C(O)C(NC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO2/c15-9-6-7-11(12(16)8-9)13(14(18)19)17-10-4-2-1-3-5-10/h6-8,10,13,17H,1-5H2,(H,18,19)
InChIKeyARRFCHXQDZSKKL-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.01
Rot. Bonds4

About 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid

2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid (PubChem CID 54892642) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
PubChem CID54892642
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
SMILESO=C(O)C(NC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO2/c15-9-6-7-11(12(16)8-9)13(14(18)19)17-10-4-2-1-3-5-10/h6-8,10,13,17H,1-5H2,(H,18,19)
InChIKeyARRFCHXQDZSKKL-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetamide
CID 54894291
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(cyclopropylamino)-2-(2,4-difluorophenyl)acetamide
CID 60796444
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide
CID 54894057
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
2-(4-bromo-3-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81437595
2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148711
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
CID 54893948
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetamide
CID 54894373
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid?
The IUPAC name of 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid (CID 54892642) is 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid?
The canonical SMILES for 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid is O=C(O)C(NC1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid?
The InChIKey is ARRFCHXQDZSKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-9-6-7-11(12(16)8-9)13(14(18)19)17-10-4-2-1-3-5-10/h6-8,10,13,17H,1-5H2,(H,18,19).
What are the key properties of 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid?
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid has a molecular weight of 269.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid is sourced from PubChem (CID 54892642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).