N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide

C20H25FN2O2 — CID 110281864

IUPACN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(CCN(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O2/c1-4-25-18-11-7-16(8-12-18)20(24)22-19(13-14-23(2)3)15-5-9-17(21)10-6-15/h5-12,19H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyUTHVVMNCAFFWEU-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.65
Rot. Bonds8

About N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide (PubChem CID 110281864) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide
PubChem CID110281864
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(CCN(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O2/c1-4-25-18-11-7-16(8-12-18)20(24)22-19(13-14-23(2)3)15-5-9-17(21)10-6-15/h5-12,19H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyUTHVVMNCAFFWEU-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
CID 110281894
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
(3R)-3-(4-ethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid
CID 717563
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-nitrobenzamide
CID 110281831
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 110281662
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-ethylbutanamide
CID 110281896
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110281854
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide
CID 110004555
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
CID 110281862
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
CID 110281659
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide
CID 110281594
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide (CID 110281864) is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC(CCN(C)C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide?
The InChIKey is UTHVVMNCAFFWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-4-25-18-11-7-16(8-12-18)20(24)22-19(13-14-23(2)3)15-5-9-17(21)10-6-15/h5-12,19H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide?
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide has a molecular weight of 344.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide is sourced from PubChem (CID 110281864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).