3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide

C16H18FNO2 — CID 114550641

IUPAC3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(C#CCO)c(F)c2)C1
InChIInChI=1S/C16H18FNO2/c1-11-4-7-14(9-11)18-16(20)13-6-5-12(3-2-8-19)15(17)10-13/h5-6,10-11,14,19H,4,7-9H2,1H3,(H,18,20)
InChIKeyDPAXHRNMJOXGLN-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.09
Rot. Bonds2

About 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide

3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide (PubChem CID 114550641) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
PubChem CID114550641
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(C#CCO)c(F)c2)C1
InChIInChI=1S/C16H18FNO2/c1-11-4-7-14(9-11)18-16(20)13-6-5-12(3-2-8-19)15(17)10-13/h5-6,10-11,14,19H,4,7-9H2,1H3,(H,18,20)
InChIKeyDPAXHRNMJOXGLN-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
CID 114550639
N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62414632
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197528
3-fluoro-4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 169485195
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114550720
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106021758
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(thiolan-3-yl)benzamide
CID 103064415
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64686483
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(oxolan-3-yl)benzamide
CID 80712752
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 104968273
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(oxan-4-ylmethyl)benzamide
CID 63707253
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide?
The IUPAC name of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide (CID 114550641) is 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide.
What is the SMILES notation for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide?
The canonical SMILES for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide is CC1CCC(NC(=O)c2ccc(C#CCO)c(F)c2)C1.
What is the InChIKey of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide?
The InChIKey is DPAXHRNMJOXGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11-4-7-14(9-11)18-16(20)13-6-5-12(3-2-8-19)15(17)10-13/h5-6,10-11,14,19H,4,7-9H2,1H3,(H,18,20).
What are the key properties of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide?
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide has a molecular weight of 275.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide is sourced from PubChem (CID 114550641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).