3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide

C20H22FN3O3 — CID 120944964

IUPAC3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CNCC2O)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C20H22FN3O3/c1-12-6-7-13(19(26)23-10-14-9-22-11-18(14)25)8-17(12)24-20(27)15-4-2-3-5-16(15)21/h2-8,14,18,22,25H,9-11H2,1H3,(H,23,26)(H,24,27)
InChIKeySPXGCBOSWANCOB-UHFFFAOYSA-N
MW371.41 g/mol
LogP1.70
Rot. Bonds5

About 3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide

3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide (PubChem CID 120944964) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
PubChem CID120944964
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CNCC2O)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C20H22FN3O3/c1-12-6-7-13(19(26)23-10-14-9-22-11-18(14)25)8-17(12)24-20(27)15-4-2-3-5-16(15)21/h2-8,14,18,22,25H,9-11H2,1H3,(H,23,26)(H,24,27)
InChIKeySPXGCBOSWANCOB-UHFFFAOYSA-N
XLogP1.70
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 120944606
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687960
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55957887
4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056
3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
CID 172670156
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 60591826
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide (CID 120944964) is 3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2CNCC2O)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide?
The InChIKey is SPXGCBOSWANCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-12-6-7-13(19(26)23-10-14-9-22-11-18(14)25)8-17(12)24-20(27)15-4-2-3-5-16(15)21/h2-8,14,18,22,25H,9-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide?
3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide has a molecular weight of 371.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 120944964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).