(2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one

C19H20FNO — CID 7207153

IUPAC(2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one
SMILESCc1ccc(N[C@@H](c2ccc(F)cc2)[C@@H]2CCCC2=O)cc1
InChIInChI=1S/C19H20FNO/c1-13-5-11-16(12-6-13)21-19(17-3-2-4-18(17)22)14-7-9-15(20)10-8-14/h5-12,17,19,21H,2-4H2,1H3/t17-,19+/m1/s1
InChIKeyLXMXFNJBWAQMDH-MJGOQNOKSA-N
MW297.37 g/mol
LogP4.66
Rot. Bonds4

About (2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one

(2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one (PubChem CID 7207153) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one
PubChem CID7207153
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one
SMILESCc1ccc(N[C@@H](c2ccc(F)cc2)[C@@H]2CCCC2=O)cc1
InChIInChI=1S/C19H20FNO/c1-13-5-11-16(12-6-13)21-19(17-3-2-4-18(17)22)14-7-9-15(20)10-8-14/h5-12,17,19,21H,2-4H2,1H3/t17-,19+/m1/s1
InChIKeyLXMXFNJBWAQMDH-MJGOQNOKSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one?
The IUPAC name of (2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one (CID 7207153) is (2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one.
What is the SMILES notation for (2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one?
The canonical SMILES for (2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one is Cc1ccc(N[C@@H](c2ccc(F)cc2)[C@@H]2CCCC2=O)cc1.
What is the InChIKey of (2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one?
The InChIKey is LXMXFNJBWAQMDH-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H20FNO/c1-13-5-11-16(12-6-13)21-19(17-3-2-4-18(17)22)14-7-9-15(20)10-8-14/h5-12,17,19,21H,2-4H2,1H3/t17-,19+/m1/s1.
What are the key properties of (2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one?
(2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one has a molecular weight of 297.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-(4-fluorophenyl)-(4-methylanilino)methyl]cyclopentan-1-one is sourced from PubChem (CID 7207153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).