N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide

C14H20F2N2O — CID 107206627

IUPACN-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)CCCCCN)c(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-10-8-11(13(16)9-12(10)15)14(19)18(2)7-5-3-4-6-17/h8-9H,3-7,17H2,1-2H3
InChIKeyYTDFLJCLHZEQIS-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.47
Rot. Bonds6

About N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide

N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide (PubChem CID 107206627) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
PubChem CID107206627
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)CCCCCN)c(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-10-8-11(13(16)9-12(10)15)14(19)18(2)7-5-3-4-6-17/h8-9H,3-7,17H2,1-2H3
InChIKeyYTDFLJCLHZEQIS-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 117045005
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197364
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185
5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
CID 63693725
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzamide;hydrochloride
CID 119581694
N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107670497
2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide
CID 117045026
N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107206762
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide
CID 107493226
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide?
The IUPAC name of N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide (CID 107206627) is N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide.
What is the SMILES notation for N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide?
The canonical SMILES for N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide is Cc1cc(C(=O)N(C)CCCCCN)c(F)cc1F.
What is the InChIKey of N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide?
The InChIKey is YTDFLJCLHZEQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-10-8-11(13(16)9-12(10)15)14(19)18(2)7-5-3-4-6-17/h8-9H,3-7,17H2,1-2H3.
What are the key properties of N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide?
N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide has a molecular weight of 270.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide is sourced from PubChem (CID 107206627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).