N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide

C13H19FN2O2 — CID 65434746

IUPACN-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
SMILESCCN(CCCN)C(=O)c1c(F)cccc1OC
InChIInChI=1S/C13H19FN2O2/c1-3-16(9-5-8-15)13(17)12-10(14)6-4-7-11(12)18-2/h4,6-7H,3,5,8-9,15H2,1-2H3
InChIKeyKBLUFDPMGMHOCA-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.65
Rot. Bonds6

About N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide

N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide (PubChem CID 65434746) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
PubChem CID65434746
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC NameN-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
SMILESCCN(CCCN)C(=O)c1c(F)cccc1OC
InChIInChI=1S/C13H19FN2O2/c1-3-16(9-5-8-15)13(17)12-10(14)6-4-7-11(12)18-2/h4,6-7H,3,5,8-9,15H2,1-2H3
InChIKeyKBLUFDPMGMHOCA-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
CID 43136539
3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid
CID 65432056
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
N-(3-amino-3-sulfanylidenepropyl)-2-fluoro-6-methoxy-N-(2-methoxyethyl)benzamide
CID 65433055
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
CID 113468548
N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
propyl 2-fluoro-6-methoxybenzoate
CID 65433073
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide (CID 65434746) is N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide is CCN(CCCN)C(=O)c1c(F)cccc1OC.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide?
The InChIKey is KBLUFDPMGMHOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-16(9-5-8-15)13(17)12-10(14)6-4-7-11(12)18-2/h4,6-7H,3,5,8-9,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide?
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide has a molecular weight of 254.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65434746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).