N'-(3,4-difluorophenyl)-N-pentylpropanediamide

C14H18F2N2O2 — CID 108951995

IUPACN'-(3,4-difluorophenyl)-N-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O2/c1-2-3-4-7-17-13(19)9-14(20)18-10-5-6-11(15)12(16)8-10/h5-6,8H,2-4,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyQDOJWFCSDIFJNY-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.60
Rot. Bonds7

About N'-(3,4-difluorophenyl)-N-pentylpropanediamide

N'-(3,4-difluorophenyl)-N-pentylpropanediamide (PubChem CID 108951995) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N-pentylpropanediamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N-pentylpropanediamide
PubChem CID108951995
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN'-(3,4-difluorophenyl)-N-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O2/c1-2-3-4-7-17-13(19)9-14(20)18-10-5-6-11(15)12(16)8-10/h5-6,8H,2-4,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyQDOJWFCSDIFJNY-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide
CID 108951922
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N'-(3,4-difluorophenyl)-N-(3-phenylpropyl)propanediamide
CID 108951290
3-(butylamino)-N-(3,4-difluorophenyl)propanamide
CID 109012546
N-(3,4-difluorophenyl)propanamide
CID 4285365
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939
2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113166842
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
2-fluoro-4-(pentylcarbamoylamino)benzoic acid
CID 107795733

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N-pentylpropanediamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N-pentylpropanediamide (CID 108951995) is N'-(3,4-difluorophenyl)-N-pentylpropanediamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N-pentylpropanediamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N-pentylpropanediamide is CCCCCNC(=O)CC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N-pentylpropanediamide?
The InChIKey is QDOJWFCSDIFJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-2-3-4-7-17-13(19)9-14(20)18-10-5-6-11(15)12(16)8-10/h5-6,8H,2-4,7,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3,4-difluorophenyl)-N-pentylpropanediamide?
N'-(3,4-difluorophenyl)-N-pentylpropanediamide has a molecular weight of 284.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N-pentylpropanediamide is sourced from PubChem (CID 108951995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).