(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[anilino-(2-chlorophenyl)methyl]cyclohexan-1-one
CID 74412349
(2R)-2-[(S)-(3,4-dichloroanilino)-(2,4-dichlorophenyl)methyl]cyclohexan-1-one
CID 102187564
(2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one
CID 851711
(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one
CID 948246
2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one
CID 141404305
(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
CID 101375640
2-[1-(2,4-dichlorophenyl)-3-oxo-3-phenylpropyl]cyclooctan-1-one
CID 4711478
(2S)-2-[(R)-(4-chlorophenyl)-(4-methylanilino)methyl]cyclohexan-1-one
CID 139241341
(2R)-2-[(S)-anilino-[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-one
CID 102075036
N-[(2,4-dichlorophenyl)-dicyclohexyloxyphosphorylmethyl]aniline
CID 3731188
2-[1-(4-chloroanilino)-2-methylpropyl]cyclohexan-1-one
CID 102017033
2-[(4-methoxyanilino)-phenylmethyl]cycloheptan-1-one
CID 101057458

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).