(2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one

C19H20ClNO — CID 851711

IUPAC(2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1[C@@H](Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H20ClNO/c20-15-10-12-16(13-11-15)21-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22/h1-3,6-7,10-13,17,19,21H,4-5,8-9H2/t17-,19-/m0/s1
InChIKeyOIDUARCVRKPECP-HKUYNNGSSA-N
MW313.83 g/mol
LogP5.25
Rot. Bonds4

About (2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one

(2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one (PubChem CID 851711) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one
PubChem CID851711
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1[C@@H](Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H20ClNO/c20-15-10-12-16(13-11-15)21-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22/h1-3,6-7,10-13,17,19,21H,4-5,8-9H2/t17-,19-/m0/s1
InChIKeyOIDUARCVRKPECP-HKUYNNGSSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one
CID 948246
(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
CID 101375640
(2S)-2-[(R)-(4-chlorophenyl)-(4-methylanilino)methyl]cyclohexan-1-one
CID 139241341
(2R)-2-[(S)-(4-iodoanilino)-phenylmethyl]cyclopentan-1-one
CID 7034207
2-[(4-methoxyanilino)-phenylmethyl]cycloheptan-1-one
CID 101057458
2-[phenyl-[4-(trifluoromethoxy)anilino]methyl]cyclohexan-1-one
CID 102346346
(2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one
CID 102187567
2-[anilino-(2-chlorophenyl)methyl]cyclohexan-1-one
CID 74412349
(2R)-2-[(S)-anilino-[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-one
CID 102075036
2-[1-(4-chloroanilino)-2-methylpropyl]cyclohexan-1-one
CID 102017033
(2R)-2-[(S)-(3,4-dichloroanilino)-(2,4-dichlorophenyl)methyl]cyclohexan-1-one
CID 102187564
2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one
CID 141404305

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one (CID 851711) is (2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one is O=C1CCCC[C@@H]1[C@@H](Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one?
The InChIKey is OIDUARCVRKPECP-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H20ClNO/c20-15-10-12-16(13-11-15)21-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22/h1-3,6-7,10-13,17,19,21H,4-5,8-9H2/t17-,19-/m0/s1.
What are the key properties of (2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one?
(2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one has a molecular weight of 313.83 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one is sourced from PubChem (CID 851711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).