N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide

C13H18F2N2O — CID 106122221

IUPACN-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide
SMILESCC(N)CCCNC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-9(16)3-2-6-17-13(18)8-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,18)
InChIKeyWODUKZQMDUNLDD-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.75
Rot. Bonds6

About N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide

N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 106122221) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide
PubChem CID106122221
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide
SMILESCC(N)CCCNC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-9(16)3-2-6-17-13(18)8-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,18)
InChIKeyWODUKZQMDUNLDD-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.75
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-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide
CID 114301835
N-(4-aminopentyl)-2-naphthalen-2-ylacetamide
CID 106122522
N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide
CID 107847518
methyl 3-[[2-(3,4-difluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493208
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652869
N-(4-aminopentyl)-2,4-difluoro-5-methylbenzamide
CID 106122327
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide
CID 65292863

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide (CID 106122221) is N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide is CC(N)CCCNC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is WODUKZQMDUNLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9(16)3-2-6-17-13(18)8-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,18).
What are the key properties of N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide?
N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 256.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 106122221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).