2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid

C14H17Cl2NO2 — CID 54893022

IUPAC2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
SMILESO=C(O)C(NC1CCCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c15-10-6-9(7-11(16)8-10)13(14(18)19)17-12-4-2-1-3-5-12/h6-8,12-13,17H,1-5H2,(H,18,19)
InChIKeyAYHNTJSURDFZSP-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.04
Rot. Bonds4

About 2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid

2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid (PubChem CID 54893022) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
PubChem CID54893022
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid
SMILESO=C(O)C(NC1CCCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c15-10-6-9(7-11(16)8-10)13(14(18)19)17-12-4-2-1-3-5-12/h6-8,12-13,17H,1-5H2,(H,18,19)
InChIKeyAYHNTJSURDFZSP-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
2-(3-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetic acid
CID 114453628
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetic acid
CID 81146022
2-(cyclopentylamino)-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148711
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
2-(3-chloro-4-methylphenyl)-2-(cyclopentylamino)acetic acid
CID 106817713
2-(cycloheptylamino)-2-(2,6-dichlorophenyl)acetic acid
CID 60998445
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60997589
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid?
The IUPAC name of 2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid (CID 54893022) is 2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid.
What is the SMILES notation for 2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid?
The canonical SMILES for 2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid is O=C(O)C(NC1CCCCC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid?
The InChIKey is AYHNTJSURDFZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-10-6-9(7-11(16)8-10)13(14(18)19)17-12-4-2-1-3-5-12/h6-8,12-13,17H,1-5H2,(H,18,19).
What are the key properties of 2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid?
2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid has a molecular weight of 302.20 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(3,5-dichlorophenyl)acetic acid is sourced from PubChem (CID 54893022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).