N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

C19H23FN2O2 — CID 51275994

IUPACN-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2)cc1F
InChIInChI=1S/C19H23FN2O2/c1-22(2)16-8-4-15(5-9-16)13-21-19(23)11-7-14-6-10-18(24-3)17(20)12-14/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,21,23)
InChIKeyIJWMIKNNHBKXLN-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.15
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (PubChem CID 51275994) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
PubChem CID51275994
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2)cc1F
InChIInChI=1S/C19H23FN2O2/c1-22(2)16-8-4-15(5-9-16)13-21-19(23)11-7-14-6-10-18(24-3)17(20)12-14/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,21,23)
InChIKeyIJWMIKNNHBKXLN-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
methyl 4-[(3-fluoro-4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 94696051
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 55743125
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182
3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249807
3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120829586
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 75429383
3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 75879898
3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 55800518

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (CID 51275994) is N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2)cc1F.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The InChIKey is IJWMIKNNHBKXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-22(2)16-8-4-15(5-9-16)13-21-19(23)11-7-14-6-10-18(24-3)17(20)12-14/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,21,23).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide has a molecular weight of 330.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 51275994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).