N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide

C17H20N2O3 — CID 97039686

IUPACN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(N[C@@H]1C[C@H](CO)[C@H](O)C1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H20N2O3/c20-11-13-9-14(10-16(13)21)18-17(22)12-3-5-15(6-4-12)19-7-1-2-8-19/h1-8,13-14,16,20-21H,9-11H2,(H,18,22)/t13-,14-,16-/m1/s1
InChIKeyLKCHTBOQDIGEEF-IIAWOOMASA-N
MW300.36 g/mol
LogP1.34
Rot. Bonds4

About N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide

N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide (PubChem CID 97039686) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide
PubChem CID97039686
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(N[C@@H]1C[C@H](CO)[C@H](O)C1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H20N2O3/c20-11-13-9-14(10-16(13)21)18-17(22)12-3-5-15(6-4-12)19-7-1-2-8-19/h1-8,13-14,16,20-21H,9-11H2,(H,18,22)/t13-,14-,16-/m1/s1
InChIKeyLKCHTBOQDIGEEF-IIAWOOMASA-N
XLogP1.34
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039827
N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
CID 82176966
N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,3-benzodioxole-5-carboxamide
CID 97039811
N-piperidin-3-yl-4-pyrrol-1-ylbenzamide
CID 127187403
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide
CID 98783804
3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 98783757
N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554843
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide
CID 98783355
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide
CID 98783711
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561651
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide
CID 98783443

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide (CID 97039686) is N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide is O=C(N[C@@H]1C[C@H](CO)[C@H](O)C1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is LKCHTBOQDIGEEF-IIAWOOMASA-N. The full InChI is InChI=1S/C17H20N2O3/c20-11-13-9-14(10-16(13)21)18-17(22)12-3-5-15(6-4-12)19-7-1-2-8-19/h1-8,13-14,16,20-21H,9-11H2,(H,18,22)/t13-,14-,16-/m1/s1.
What are the key properties of N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide?
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 300.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 97039686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).