N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide

C20H20FNO2 — CID 135294028

IUPACN-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide
SMILESCc1c(F)cc(C=O)cc1-c1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H20FNO2/c1-13-18(10-14(12-23)11-19(13)21)15-6-8-16(9-7-15)20(24)22-17-4-2-3-5-17/h6-12,17H,2-5H2,1H3,(H,22,24)
InChIKeyPXTKDKUSNMEKFN-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.29
Rot. Bonds4

About N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide

N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide (PubChem CID 135294028) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide
PubChem CID135294028
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC NameN-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide
SMILESCc1c(F)cc(C=O)cc1-c1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H20FNO2/c1-13-18(10-14(12-23)11-19(13)21)15-6-8-16(9-7-15)20(24)22-17-4-2-3-5-17/h6-12,17H,2-5H2,1H3,(H,22,24)
InChIKeyPXTKDKUSNMEKFN-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclooctyl-4-methylbenzamide
CID 3995245
tert-butyl N-[[4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]benzoyl]amino]carbamate
CID 69316615
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
3-[4-(cyclohexylmethylamino)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 135283616
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide
CID 59811420
N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide
CID 79884292

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide?
The IUPAC name of N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide (CID 135294028) is N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide.
What is the SMILES notation for N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide?
The canonical SMILES for N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide is Cc1c(F)cc(C=O)cc1-c1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide?
The InChIKey is PXTKDKUSNMEKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-13-18(10-14(12-23)11-19(13)21)15-6-8-16(9-7-15)20(24)22-17-4-2-3-5-17/h6-12,17H,2-5H2,1H3,(H,22,24).
What are the key properties of N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide?
N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide has a molecular weight of 325.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide is sourced from PubChem (CID 135294028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).