2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid

C17H22ClNO3 — CID 2738146

IUPAC2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C17H22ClNO3/c18-14-6-4-13(5-7-14)12-19-15(20)10-17(11-16(21)22)8-2-1-3-9-17/h4-7H,1-3,8-12H2,(H,19,20)(H,21,22)
InChIKeyFGQMKOQYQRAWPL-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.77
Rot. Bonds6

About 2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 2738146) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID2738146
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C17H22ClNO3/c18-14-6-4-13(5-7-14)12-19-15(20)10-17(11-16(21)22)8-2-1-3-9-17/h4-7H,1-3,8-12H2,(H,19,20)(H,21,22)
InChIKeyFGQMKOQYQRAWPL-UHFFFAOYSA-N
XLogP3.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid (CID 2738146) is 2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NCc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is FGQMKOQYQRAWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3/c18-14-6-4-13(5-7-14)12-19-15(20)10-17(11-16(21)22)8-2-1-3-9-17/h4-7H,1-3,8-12H2,(H,19,20)(H,21,22).
What are the key properties of 2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 323.82 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 2738146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).