(2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide

C15H17FN4O2 — CID 124703470

IUPAC(2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C15H17FN4O2/c16-12-5-10(1-2-14(12)20-4-3-17-9-20)7-19-15(22)13-6-11(21)8-18-13/h1-5,9,11,13,18,21H,6-8H2,(H,19,22)/t11-,13+/m0/s1
InChIKeyYRDFLRLMRMKANH-WCQYABFASA-N
MW304.32 g/mol
LogP0.35
Rot. Bonds4

About (2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 124703470) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is (2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID124703470
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name(2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C15H17FN4O2/c16-12-5-10(1-2-14(12)20-4-3-17-9-20)7-19-15(22)13-6-11(21)8-18-13/h1-5,9,11,13,18,21H,6-8H2,(H,19,22)/t11-,13+/m0/s1
InChIKeyYRDFLRLMRMKANH-WCQYABFASA-N
XLogP0.35
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide;dihydrochloride
CID 128981767
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
(2R,4R)-N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587754
(2S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150529
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119863385
(2R,4S)-4-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138990
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509822
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 124703470) is (2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1C[C@H](O)CN1.
What is the InChIKey of (2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is YRDFLRLMRMKANH-WCQYABFASA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-12-5-10(1-2-14(12)20-4-3-17-9-20)7-19-15(22)13-6-11(21)8-18-13/h1-5,9,11,13,18,21H,6-8H2,(H,19,22)/t11-,13+/m0/s1.
What are the key properties of (2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 124703470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).