N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide

C14H20F2N2O2 — CID 107206523

IUPACN-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide
SMILESCN(CCCCCN)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-18(10-4-2-3-9-17)13(19)11-5-7-12(8-6-11)20-14(15)16/h5-8,14H,2-4,9-10,17H2,1H3
InChIKeyKMCVCMKTECCUEM-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.49
Rot. Bonds8

About N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide

N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide (PubChem CID 107206523) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide
PubChem CID107206523
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide
SMILESCN(CCCCCN)C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-18(10-4-2-3-9-17)13(19)11-5-7-12(8-6-11)20-14(15)16/h5-8,14H,2-4,9-10,17H2,1H3
InChIKeyKMCVCMKTECCUEM-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 115673441
N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide
CID 43136734
methyl 3-[[4-(difluoromethoxy)benzoyl]-methylamino]propanoate
CID 61032347
N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
CID 107206141
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107206607
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide
CID 60653738
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 107202832
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine
CID 115318689
4-[[5-(difluoromethoxy)-2-fluorobenzoyl]-methylamino]butanoic acid
CID 166253285

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide?
The IUPAC name of N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide (CID 107206523) is N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide.
What is the SMILES notation for N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide?
The canonical SMILES for N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide is CN(CCCCCN)C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide?
The InChIKey is KMCVCMKTECCUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-18(10-4-2-3-9-17)13(19)11-5-7-12(8-6-11)20-14(15)16/h5-8,14H,2-4,9-10,17H2,1H3.
What are the key properties of N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide?
N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide has a molecular weight of 286.32 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide is sourced from PubChem (CID 107206523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).