2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide

C20H23FN2O — CID 119815702

IUPAC2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
SMILESNc1ccc(CC(=O)NC(c2ccccc2F)C2CCCC2)cc1
InChIInChI=1S/C20H23FN2O/c21-18-8-4-3-7-17(18)20(15-5-1-2-6-15)23-19(24)13-14-9-11-16(22)12-10-14/h3-4,7-12,15,20H,1-2,5-6,13,22H2,(H,23,24)
InChIKeyNVJONKUCMHAGNY-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.00
Rot. Bonds5

About 2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide

2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide (PubChem CID 119815702) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
PubChem CID119815702
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
SMILESNc1ccc(CC(=O)NC(c2ccccc2F)C2CCCC2)cc1
InChIInChI=1S/C20H23FN2O/c21-18-8-4-3-7-17(18)20(15-5-1-2-6-15)23-19(24)13-14-9-11-16(22)12-10-14/h3-4,7-12,15,20H,1-2,5-6,13,22H2,(H,23,24)
InChIKeyNVJONKUCMHAGNY-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 97053712
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 71972268
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119815713
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide
CID 97053702
N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119815704
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166234080
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide
CID 119818622
2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride
CID 119809026
N-[cyclopentyl-(2-fluorophenyl)methyl]-3-(sulfamoylmethyl)benzamide
CID 139013031
1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 97055835

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide (CID 119815702) is 2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide is Nc1ccc(CC(=O)NC(c2ccccc2F)C2CCCC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide?
The InChIKey is NVJONKUCMHAGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-18-8-4-3-7-17(18)20(15-5-1-2-6-15)23-19(24)13-14-9-11-16(22)12-10-14/h3-4,7-12,15,20H,1-2,5-6,13,22H2,(H,23,24).
What are the key properties of 2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide?
2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide has a molecular weight of 326.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 119815702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).