(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one

C20H23NO — CID 101375640

IUPAC(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
SMILESO=C1CCCCC[C@@H]1[C@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO/c22-19-15-9-3-8-14-18(19)20(16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-2,4-7,10-13,18,20-21H,3,8-9,14-15H2/t18-,20+/m0/s1
InChIKeyADKRKVAINLIRKK-AZUAARDMSA-N
MW293.41 g/mol
LogP4.99
Rot. Bonds4

About (2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one

(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one (PubChem CID 101375640) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one.

Molecular Properties

Compound Name(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
PubChem CID101375640
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
SMILESO=C1CCCCC[C@@H]1[C@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO/c22-19-15-9-3-8-14-18(19)20(16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-2,4-7,10-13,18,20-21H,3,8-9,14-15H2/t18-,20+/m0/s1
InChIKeyADKRKVAINLIRKK-AZUAARDMSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.99
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-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one
CID 851711
2-[(4-methoxyanilino)-phenylmethyl]cycloheptan-1-one
CID 101057458
(2R)-2-[(S)-anilino-[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-one
CID 102075036
(2R)-2-[(S)-(4-iodoanilino)-phenylmethyl]cyclopentan-1-one
CID 7034207
2-[phenyl-[4-(trifluoromethoxy)anilino]methyl]cyclohexan-1-one
CID 102346346
2-[anilino-(2-chlorophenyl)methyl]cyclohexan-1-one
CID 74412349
2-[anilino-(2-bromophenyl)methyl]cyclohexan-1-one
CID 141404305
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
(2R)-2-[(R)-anilino-(2,4-dichlorophenyl)methyl]cyclohexan-1-one
CID 102187567
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(2S)-2-[(R)-(4-chlorophenyl)-(4-methylanilino)methyl]cyclohexan-1-one
CID 139241341

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one?
The IUPAC name of (2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one (CID 101375640) is (2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one.
What is the SMILES notation for (2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one?
The canonical SMILES for (2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one is O=C1CCCCC[C@@H]1[C@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one?
The InChIKey is ADKRKVAINLIRKK-AZUAARDMSA-N. The full InChI is InChI=1S/C20H23NO/c22-19-15-9-3-8-14-18(19)20(16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-2,4-7,10-13,18,20-21H,3,8-9,14-15H2/t18-,20+/m0/s1.
What are the key properties of (2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one?
(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one has a molecular weight of 293.41 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one is sourced from PubChem (CID 101375640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).