2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid

C15H19Cl2NO2 — CID 60998445

IUPAC2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid
SMILESO=C(O)C(NC1CCCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2NO2/c16-11-8-5-9-12(17)13(11)14(15(19)20)18-10-6-3-1-2-4-7-10/h5,8-10,14,18H,1-4,6-7H2,(H,19,20)
InChIKeyVALGRSXPHDWQDV-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.43
Rot. Bonds4

About 2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid

2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid (PubChem CID 60998445) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid
PubChem CID60998445
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid
SMILESO=C(O)C(NC1CCCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2NO2/c16-11-8-5-9-12(17)13(11)14(15(19)20)18-10-6-3-1-2-4-7-10/h5,8-10,14,18H,1-4,6-7H2,(H,19,20)
InChIKeyVALGRSXPHDWQDV-UHFFFAOYSA-N
XLogP4.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
CID 54893022
2-(2-chloro-6-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 104816493
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60997589
methyl 2-(3-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetate
CID 114488196
2-(cyclohexylamino)-2-(2-cyclopropylphenyl)acetic acid
CID 79982392
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
methyl 2-(2-chlorophenyl)-2-(cyclopentylamino)acetate
CID 60727132

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid?
The IUPAC name of 2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid (CID 60998445) is 2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid.
What is the SMILES notation for 2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid?
The canonical SMILES for 2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid is O=C(O)C(NC1CCCCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid?
The InChIKey is VALGRSXPHDWQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-11-8-5-9-12(17)13(11)14(15(19)20)18-10-6-3-1-2-4-7-10/h5,8-10,14,18H,1-4,6-7H2,(H,19,20).
What are the key properties of 2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid?
2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid has a molecular weight of 316.23 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid is sourced from PubChem (CID 60998445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).