2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid

C15H19ClFNO2 — CID 114843747

IUPAC2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
SMILESO=C(O)C(NC1CCCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H19ClFNO2/c16-10-7-8-13(17)12(9-10)14(15(19)20)18-11-5-3-1-2-4-6-11/h7-9,11,14,18H,1-6H2,(H,19,20)
InChIKeyKZOIDTRLTGYORS-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.92
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid

2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid (PubChem CID 114843747) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
PubChem CID114843747
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
SMILESO=C(O)C(NC1CCCCCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H19ClFNO2/c16-10-7-8-13(17)12(9-10)14(15(19)20)18-11-5-3-1-2-4-6-11/h7-9,11,14,18H,1-6H2,(H,19,20)
InChIKeyKZOIDTRLTGYORS-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
CID 54892642
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetic acid
CID 43754588
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
CID 54893022
2-(cyclohexylamino)-2-(2,4-dichlorophenyl)acetamide
CID 54894576
ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid
CID 60998445
2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148711
methyl 2-(cyclopentylamino)-2-(2,5-dichlorophenyl)acetate
CID 114076211
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclohexylamino)acetate
CID 66157260

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid (CID 114843747) is 2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid is O=C(O)C(NC1CCCCCC1)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid?
The InChIKey is KZOIDTRLTGYORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c16-10-7-8-13(17)12(9-10)14(15(19)20)18-11-5-3-1-2-4-6-11/h7-9,11,14,18H,1-6H2,(H,19,20).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid?
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid has a molecular weight of 299.77 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid is sourced from PubChem (CID 114843747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).