N-(3-aminopropyl)-4-fluoro-3-methylbenzamide

C11H15FN2O — CID 63208781

IUPACN-(3-aminopropyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCN)ccc1F
InChIInChI=1S/C11H15FN2O/c1-8-7-9(3-4-10(8)12)11(15)14-6-2-5-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyPQDLOEJGMWQULA-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.21
Rot. Bonds4

About N-(3-aminopropyl)-4-fluoro-3-methylbenzamide

N-(3-aminopropyl)-4-fluoro-3-methylbenzamide (PubChem CID 63208781) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-fluoro-3-methylbenzamide
PubChem CID63208781
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-(3-aminopropyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCN)ccc1F
InChIInChI=1S/C11H15FN2O/c1-8-7-9(3-4-10(8)12)11(15)14-6-2-5-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyPQDLOEJGMWQULA-UHFFFAOYSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.21
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

N-(4-amino-4-sulfanylidenebutyl)-4-fluoro-3-methylbenzamide
CID 63210296
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159
N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
CID 113412198
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
N-(2-amino-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210073
N-(3-aminopropyl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 118973559

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-4-fluoro-3-methylbenzamide (CID 63208781) is N-(3-aminopropyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCCCN)ccc1F.
What is the InChIKey of N-(3-aminopropyl)-4-fluoro-3-methylbenzamide?
The InChIKey is PQDLOEJGMWQULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8-7-9(3-4-10(8)12)11(15)14-6-2-5-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of N-(3-aminopropyl)-4-fluoro-3-methylbenzamide?
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide has a molecular weight of 210.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63208781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).