2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one

C14H18FNO — CID 45141379

IUPAC2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one
SMILESCC(NC1CCCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C14H18FNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
InChIKeyCFVHNYYHCCJXDK-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.93
Rot. Bonds4

About 2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one

2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one (PubChem CID 45141379) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one
PubChem CID45141379
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one
SMILESCC(NC1CCCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C14H18FNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
InChIKeyCFVHNYYHCCJXDK-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one (CID 45141379) is 2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one is CC(NC1CCCC1)C(=O)c1cccc(F)c1.
What is the InChIKey of 2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one?
The InChIKey is CFVHNYYHCCJXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3.
What are the key properties of 2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one?
2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one has a molecular weight of 235.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 45141379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).