N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide

C18H21FN2O — CID 110444087

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
SMILESCN(CCCNC(=O)c1ccccc1F)Cc1ccccc1
InChIInChI=1S/C18H21FN2O/c1-21(14-15-8-3-2-4-9-15)13-7-12-20-18(22)16-10-5-6-11-17(16)19/h2-6,8-11H,7,12-14H2,1H3,(H,20,22)
InChIKeyHKZRNTYKXGFRRB-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.08
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide

N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide (PubChem CID 110444087) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
PubChem CID110444087
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
SMILESCN(CCCNC(=O)c1ccccc1F)Cc1ccccc1
InChIInChI=1S/C18H21FN2O/c1-21(14-15-8-3-2-4-9-15)13-7-12-20-18(22)16-10-5-6-11-17(16)19/h2-6,8-11H,7,12-14H2,1H3,(H,20,22)
InChIKeyHKZRNTYKXGFRRB-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylbenzamide
CID 17474341
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
N-[3-[benzyl(methyl)amino]propyl]-2-methoxybenzamide
CID 18118649
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 41306594
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55756710
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide
CID 113236698
N',N'-dibenzyl-2-fluorobenzohydrazide
CID 9293723
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide (CID 110444087) is N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide is CN(CCCNC(=O)c1ccccc1F)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide?
The InChIKey is HKZRNTYKXGFRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-21(14-15-8-3-2-4-9-15)13-7-12-20-18(22)16-10-5-6-11-17(16)19/h2-6,8-11H,7,12-14H2,1H3,(H,20,22).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide?
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide has a molecular weight of 300.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide is sourced from PubChem (CID 110444087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).