1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide

C18H25FN2O — CID 51499906

IUPAC1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O/c1-2-16(13-21-10-3-4-11-21)20-17(22)18(8-9-18)14-6-5-7-15(19)12-14/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyQXLALDRJHZKAJZ-INIZCTEOSA-N
MW304.41 g/mol
LogP2.85
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide

1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide (PubChem CID 51499906) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide
PubChem CID51499906
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide
SMILESCC[C@@H](CN1CCCC1)NC(=O)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O/c1-2-16(13-21-10-3-4-11-21)20-17(22)18(8-9-18)14-6-5-7-15(19)12-14/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyQXLALDRJHZKAJZ-INIZCTEOSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide (CID 51499906) is 1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide is CC[C@@H](CN1CCCC1)NC(=O)C1(c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is QXLALDRJHZKAJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-2-16(13-21-10-3-4-11-21)20-17(22)18(8-9-18)14-6-5-7-15(19)12-14/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide?
1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51499906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).