2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid

C15H20FNO2 — CID 82304125

IUPAC2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(F)ccc1NC1CCCCCC1
InChIInChI=1S/C15H20FNO2/c16-12-7-8-14(11(9-12)10-15(18)19)17-13-5-3-1-2-4-6-13/h7-9,13,17H,1-6,10H2,(H,18,19)
InChIKeySCJPBVMALFBDSW-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.59
Rot. Bonds4

About 2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid

2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid (PubChem CID 82304125) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid
PubChem CID82304125
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(F)ccc1NC1CCCCCC1
InChIInChI=1S/C15H20FNO2/c16-12-7-8-14(11(9-12)10-15(18)19)17-13-5-3-1-2-4-6-13/h7-9,13,17H,1-6,10H2,(H,18,19)
InChIKeySCJPBVMALFBDSW-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82933177
N-cyclohexyl-4-fluoro-2-iodoaniline
CID 79769123
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CID 28939094
N-(4-fluoro-2-iodophenyl)cyclododecanamine
CID 79759180
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
N-cyclohexyl-5-fluoro-2-methoxyaniline
CID 82539597
2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432762
5-fluoro-2-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101996
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
5-(cycloheptylamino)-2,4-difluorobenzoic acid
CID 43737089
2-(cyclopentylamino)-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793411

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid?
The IUPAC name of 2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid (CID 82304125) is 2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid?
The canonical SMILES for 2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid is O=C(O)Cc1cc(F)ccc1NC1CCCCCC1.
What is the InChIKey of 2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid?
The InChIKey is SCJPBVMALFBDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-12-7-8-14(11(9-12)10-15(18)19)17-13-5-3-1-2-4-6-13/h7-9,13,17H,1-6,10H2,(H,18,19).
What are the key properties of 2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid?
2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid has a molecular weight of 265.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid is sourced from PubChem (CID 82304125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).