3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide

C14H16N2O3 — CID 98783757

IUPAC3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
SMILESN#Cc1cccc(C(=O)N[C@H]2C[C@H](CO)[C@@H](O)C2)c1
InChIInChI=1S/C14H16N2O3/c15-7-9-2-1-3-10(4-9)14(19)16-12-5-11(8-17)13(18)6-12/h1-4,11-13,17-18H,5-6,8H2,(H,16,19)/t11-,12+,13+/m1/s1
InChIKeyPOKYGOOHBWUNOQ-AGIUHOORSA-N
MW260.29 g/mol
LogP0.42
Rot. Bonds3

About 3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide

3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 98783757) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID98783757
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
SMILESN#Cc1cccc(C(=O)N[C@H]2C[C@H](CO)[C@@H](O)C2)c1
InChIInChI=1S/C14H16N2O3/c15-7-9-2-1-3-10(4-9)14(19)16-12-5-11(8-17)13(18)6-12/h1-4,11-13,17-18H,5-6,8H2,(H,16,19)/t11-,12+,13+/m1/s1
InChIKeyPOKYGOOHBWUNOQ-AGIUHOORSA-N
XLogP0.42
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
CID 71789109
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
3-cyano-N-[(3R)-5-oxopyrrolidin-3-yl]benzamide
CID 95985010
N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,3-benzodioxole-5-carboxamide
CID 97039811
N-(1-acetylpyrrolidin-3-yl)-3-cyanobenzamide
CID 110871344
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768
3-cyano-N-(6-oxopiperidin-3-yl)benzamide
CID 62491080
3-cyano-N-(2-oxoazepan-4-yl)benzamide
CID 19090425
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
3-cyano-N-(1,1-dioxothian-3-yl)benzamide
CID 63922155
3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816870

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide (CID 98783757) is 3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide is N#Cc1cccc(C(=O)N[C@H]2C[C@H](CO)[C@@H](O)C2)c1.
What is the InChIKey of 3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is POKYGOOHBWUNOQ-AGIUHOORSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-7-9-2-1-3-10(4-9)14(19)16-12-5-11(8-17)13(18)6-12/h1-4,11-13,17-18H,5-6,8H2,(H,16,19)/t11-,12+,13+/m1/s1.
What are the key properties of 3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 260.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 98783757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).