N-[3-(ethylamino)propyl]-2,3-difluorobenzamide

C12H16F2N2O — CID 62662463

IUPACN-[3-(ethylamino)propyl]-2,3-difluorobenzamide
SMILESCCNCCCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H16F2N2O/c1-2-15-7-4-8-16-12(17)9-5-3-6-10(13)11(9)14/h3,5-6,15H,2,4,7-8H2,1H3,(H,16,17)
InChIKeySDSSNRVRIIYQRB-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.69
Rot. Bonds6

About N-[3-(ethylamino)propyl]-2,3-difluorobenzamide

N-[3-(ethylamino)propyl]-2,3-difluorobenzamide (PubChem CID 62662463) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-2,3-difluorobenzamide
PubChem CID62662463
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-[3-(ethylamino)propyl]-2,3-difluorobenzamide
SMILESCCNCCCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H16F2N2O/c1-2-15-7-4-8-16-12(17)9-5-3-6-10(13)11(9)14/h3,5-6,15H,2,4,7-8H2,1H3,(H,16,17)
InChIKeySDSSNRVRIIYQRB-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.69
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

2,3-difluoro-N-pentylbenzamide
CID 62649821
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925
N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
CID 65434428
N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 43601777
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
CID 104615443
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-2,3-difluorobenzamide?
The IUPAC name of N-[3-(ethylamino)propyl]-2,3-difluorobenzamide (CID 62662463) is N-[3-(ethylamino)propyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-2,3-difluorobenzamide is CCNCCCNC(=O)c1cccc(F)c1F.
What is the InChIKey of N-[3-(ethylamino)propyl]-2,3-difluorobenzamide?
The InChIKey is SDSSNRVRIIYQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-2-15-7-4-8-16-12(17)9-5-3-6-10(13)11(9)14/h3,5-6,15H,2,4,7-8H2,1H3,(H,16,17).
What are the key properties of N-[3-(ethylamino)propyl]-2,3-difluorobenzamide?
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide has a molecular weight of 242.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-2,3-difluorobenzamide is sourced from PubChem (CID 62662463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).