N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide

C12H17FN2O — CID 43136499

IUPACN-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
SMILESCCN(CCCN)C(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-2-15(8-4-7-14)12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,2,4,7-8,14H2,1H3
InChIKeyMBPUPAIWYBMAEA-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.64
Rot. Bonds5

About N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide

N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide (PubChem CID 43136499) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
PubChem CID43136499
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
SMILESCCN(CCCN)C(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-2-15(8-4-7-14)12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,2,4,7-8,14H2,1H3
InChIKeyMBPUPAIWYBMAEA-UHFFFAOYSA-N
XLogP1.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N,N-di(nonyl)benzamide
CID 533098
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate
CID 54898552
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
N-(3-aminopropyl)-N-ethyl-2-fluoro-6-methoxybenzamide
CID 65434746
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
N-(3-amino-3-sulfanylidenepropyl)-3-fluoro-N-pentylbenzamide
CID 82103769
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
N-(3-aminopropyl)-3,4-difluoro-N-propylbenzamide
CID 43136548
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23824934

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide (CID 43136499) is N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide is CCN(CCCN)C(=O)c1cccc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide?
The InChIKey is MBPUPAIWYBMAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-15(8-4-7-14)12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,2,4,7-8,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide?
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide has a molecular weight of 224.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide is sourced from PubChem (CID 43136499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).