3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide

C21H21FN2O3 — CID 172670156

IUPAC3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CO)CC=CC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C21H21FN2O3/c1-14-8-9-15(19(26)24-21(13-25)10-4-5-11-21)12-18(14)23-20(27)16-6-2-3-7-17(16)22/h2-9,12,25H,10-11,13H2,1H3,(H,23,27)(H,24,26)
InChIKeySNPJEBAXSJLHIW-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.20
Rot. Bonds5

About 3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide

3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide (PubChem CID 172670156) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
PubChem CID172670156
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CO)CC=CC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C21H21FN2O3/c1-14-8-9-15(19(26)24-21(13-25)10-4-5-11-21)12-18(14)23-20(27)16-6-2-3-7-17(16)22/h2-9,12,25H,10-11,13H2,1H3,(H,23,27)(H,24,26)
InChIKeySNPJEBAXSJLHIW-UHFFFAOYSA-N
XLogP3.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056
4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid
CID 119192334
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55957887
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 60591826
N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 38953535
3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 120944964
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
CID 97249445
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55902095
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 126782233
3-fluoro-1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119259430

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide (CID 172670156) is 3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2(CO)CC=CC2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide?
The InChIKey is SNPJEBAXSJLHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-14-8-9-15(19(26)24-21(13-25)10-4-5-11-21)12-18(14)23-20(27)16-6-2-3-7-17(16)22/h2-9,12,25H,10-11,13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide?
3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide has a molecular weight of 368.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide is sourced from PubChem (CID 172670156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).