(2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one

C19H19Cl2NO — CID 102187567

IUPAC(2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1[C@@H](Nc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO/c20-13-10-11-15(17(21)12-13)19(16-8-4-5-9-18(16)23)22-14-6-2-1-3-7-14/h1-3,6-7,10-12,16,19,22H,4-5,8-9H2/t16-,19-/m0/s1
InChIKeyFQLNZDBWFWMIJU-LPHOPBHVSA-N
MW348.27 g/mol
LogP5.91
Rot. Bonds4

About (2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one

(2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one (PubChem CID 102187567) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is (2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one
PubChem CID102187567
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC Name(2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1[C@@H](Nc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO/c20-13-10-11-15(17(21)12-13)19(16-8-4-5-9-18(16)23)22-14-6-2-1-3-7-14/h1-3,6-7,10-12,16,19,22H,4-5,8-9H2/t16-,19-/m0/s1
InChIKeyFQLNZDBWFWMIJU-LPHOPBHVSA-N
XLogP5.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one (CID 102187567) is (2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one is O=C1CCCC[C@@H]1[C@@H](Nc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one?
The InChIKey is FQLNZDBWFWMIJU-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c20-13-10-11-15(17(21)12-13)19(16-8-4-5-9-18(16)23)22-14-6-2-1-3-7-14/h1-3,6-7,10-12,16,19,22H,4-5,8-9H2/t16-,19-/m0/s1.
What are the key properties of (2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one?
(2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one has a molecular weight of 348.27 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 102187567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).