3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide

C18H26FN3O — CID 119862617

IUPAC3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCN(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H26FN3O/c19-15-4-6-17(7-5-15)22-9-8-13(12-22)11-21-18(23)14-2-1-3-16(20)10-14/h4-7,13-14,16H,1-3,8-12,20H2,(H,21,23)
InChIKeyJJTBZHWOXPFCBA-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.29
Rot. Bonds4

About 3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide

3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 119862617) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
PubChem CID119862617
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCN(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H26FN3O/c19-15-4-6-17(7-5-15)22-9-8-13(12-22)11-21-18(23)14-2-1-3-16(20)10-14/h4-7,13-14,16H,1-3,8-12,20H2,(H,21,23)
InChIKeyJJTBZHWOXPFCBA-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119862615
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 167833168
3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962805
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
1-(4-fluorobenzoyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 46403336
1-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119862649
(2S)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 94670236
1-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 56819732
1-cycloheptyl-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 71886089
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 51125795
1-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 52535068

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide (CID 119862617) is 3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC2CCN(c3ccc(F)cc3)C2)C1.
What is the InChIKey of 3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is JJTBZHWOXPFCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c19-15-4-6-17(7-5-15)22-9-8-13(12-22)11-21-18(23)14-2-1-3-16(20)10-14/h4-7,13-14,16H,1-3,8-12,20H2,(H,21,23).
What are the key properties of 3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119862617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).