N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

C17H20FN3O — CID 95388374

IUPACN-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@@H]1CCN(Cc2ccccc2F)C1)c1ccc[nH]1
InChIInChI=1S/C17H20FN3O/c18-15-5-2-1-4-14(15)12-21-9-7-13(11-21)10-20-17(22)16-6-3-8-19-16/h1-6,8,13,19H,7,9-12H2,(H,20,22)/t13-/m0/s1
InChIKeyIFZIJDIJZSFFMX-ZDUSSCGKSA-N
MW301.36 g/mol
LogP2.41
Rot. Bonds5

About N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 95388374) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID95388374
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC NameN-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@@H]1CCN(Cc2ccccc2F)C1)c1ccc[nH]1
InChIInChI=1S/C17H20FN3O/c18-15-5-2-1-4-14(15)12-21-9-7-13(11-21)10-20-17(22)16-6-3-8-19-16/h1-6,8,13,19H,7,9-12H2,(H,20,22)/t13-/m0/s1
InChIKeyIFZIJDIJZSFFMX-ZDUSSCGKSA-N
XLogP2.41
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
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1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 154884967
N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95207080
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081574
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
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CID 53032674
1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214307
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71935195
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
2-(2-fluorophenyl)-N-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (CID 95388374) is N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is O=C(NC[C@@H]1CCN(Cc2ccccc2F)C1)c1ccc[nH]1.
What is the InChIKey of N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is IFZIJDIJZSFFMX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-15-5-2-1-4-14(15)12-21-9-7-13(11-21)10-20-17(22)16-6-3-8-19-16/h1-6,8,13,19H,7,9-12H2,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 301.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 95388374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).