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

C13H18F2N2O — CID 106122327

IUPACN-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)NCCCC(C)N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-8-6-10(12(15)7-11(8)14)13(18)17-5-3-4-9(2)16/h6-7,9H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyLDJPQCSTSTWICK-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.13
Rot. Bonds5

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

N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide (PubChem CID 106122327) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide
PubChem CID106122327
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)NCCCC(C)N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-8-6-10(12(15)7-11(8)14)13(18)17-5-3-4-9(2)16/h6-7,9H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyLDJPQCSTSTWICK-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.13
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-(5-bromopentyl)-2,4-difluoro-5-methylbenzamide
CID 107322118
N-(3-aminobutyl)-2-chloro-5-fluoro-4-methylbenzamide
CID 117044369
N-(3-bromopentyl)-2,4-difluoro-5-methylbenzamide
CID 113497969
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
N-(4-aminopentyl)-2,6-dimethylbenzamide
CID 106122701
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide
CID 106122221
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106122559
N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide
CID 119382876
2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide
CID 109478990
2-amino-4,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 106118883
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide?
The IUPAC name of N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide (CID 106122327) is N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide.
What is the SMILES notation for N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide?
The canonical SMILES for N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide is Cc1cc(C(=O)NCCCC(C)N)c(F)cc1F.
What is the InChIKey of N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide?
The InChIKey is LDJPQCSTSTWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8-6-10(12(15)7-11(8)14)13(18)17-5-3-4-9(2)16/h6-7,9H,3-5,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide?
N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide is sourced from PubChem (CID 106122327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).