2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one

C19H20FNO — CID 4288009

IUPAC2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one
SMILESCc1cccc(NC(c2ccc(F)cc2)C2CCCC2=O)c1
InChIInChI=1S/C19H20FNO/c1-13-4-2-5-16(12-13)21-19(17-6-3-7-18(17)22)14-8-10-15(20)11-9-14/h2,4-5,8-12,17,19,21H,3,6-7H2,1H3
InChIKeyRUBDQXCBFVLPSG-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.66
Rot. Bonds4

About 2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one

2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one (PubChem CID 4288009) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one
PubChem CID4288009
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one
SMILESCc1cccc(NC(c2ccc(F)cc2)C2CCCC2=O)c1
InChIInChI=1S/C19H20FNO/c1-13-4-2-5-16(12-13)21-19(17-6-3-7-18(17)22)14-8-10-15(20)11-9-14/h2,4-5,8-12,17,19,21H,3,6-7H2,1H3
InChIKeyRUBDQXCBFVLPSG-UHFFFAOYSA-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 2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one (CID 4288009) is 2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one is Cc1cccc(NC(c2ccc(F)cc2)C2CCCC2=O)c1.
What is the InChIKey of 2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one?
The InChIKey is RUBDQXCBFVLPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-13-4-2-5-16(12-13)21-19(17-6-3-7-18(17)22)14-8-10-15(20)11-9-14/h2,4-5,8-12,17,19,21H,3,6-7H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one?
2-[(4-fluorophenyl)-(3-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 2-[(4-fluorophenyl)-(3-methylanilino)methyl]cyclopentan-1-one is sourced from PubChem (CID 4288009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).