N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide

C16H22F2N2O — CID 106015415

IUPACN-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCCCC2CCCC2)cc1F
InChIInChI=1S/C16H22F2N2O/c1-19-15-13(17)9-12(10-14(15)18)16(21)20-8-4-7-11-5-2-3-6-11/h9-11,19H,2-8H2,1H3,(H,20,21)
InChIKeyAUCYHUXPWNRPQS-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.71
Rot. Bonds6

About N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide

N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 106015415) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide
PubChem CID106015415
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCCCC2CCCC2)cc1F
InChIInChI=1S/C16H22F2N2O/c1-19-15-13(17)9-12(10-14(15)18)16(21)20-8-4-7-11-5-2-3-6-11/h9-11,19H,2-8H2,1H3,(H,20,21)
InChIKeyAUCYHUXPWNRPQS-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylethyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63185372
4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide
CID 106006332
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
3,5-dibromo-N-(3-cyclopentylpropyl)benzamide
CID 106012306
3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide
CID 82946466
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
N-(3-cyclopentylpropyl)-2-fluoro-4-hydroxybenzamide
CID 103940047
3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707599
3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334
3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612937
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
N-(3-cyclopentylpropyl)-4-(propylamino)benzamide
CID 106015559

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide (CID 106015415) is N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)NCCCC2CCCC2)cc1F.
What is the InChIKey of N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is AUCYHUXPWNRPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-19-15-13(17)9-12(10-14(15)18)16(21)20-8-4-7-11-5-2-3-6-11/h9-11,19H,2-8H2,1H3,(H,20,21).
What are the key properties of N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide?
N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 296.36 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 106015415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).