N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide

C13H19FN2O2 — CID 65434428

IUPACN-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
SMILESCCNCCCNC(=O)c1c(F)cccc1OC
InChIInChI=1S/C13H19FN2O2/c1-3-15-8-5-9-16-13(17)12-10(14)6-4-7-11(12)18-2/h4,6-7,15H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyZCVIKNUOCHNJJT-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.56
Rot. Bonds7

About N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide

N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide (PubChem CID 65434428) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
PubChem CID65434428
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
SMILESCCNCCCNC(=O)c1c(F)cccc1OC
InChIInChI=1S/C13H19FN2O2/c1-3-15-8-5-9-16-13(17)12-10(14)6-4-7-11(12)18-2/h4,6-7,15H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyZCVIKNUOCHNJJT-UHFFFAOYSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
CID 107321246
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104681666
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
2,6-dimethoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934768
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide (CID 65434428) is N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide is CCNCCCNC(=O)c1c(F)cccc1OC.
What is the InChIKey of N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is ZCVIKNUOCHNJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-15-8-5-9-16-13(17)12-10(14)6-4-7-11(12)18-2/h4,6-7,15H,3,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide?
N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 254.30 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65434428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).