N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide

C21H27FN2O2 — CID 110281894

IUPACN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CCN(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H27FN2O2/c1-15(2)26-19-11-7-17(8-12-19)21(25)23-20(13-14-24(3)4)16-5-9-18(22)10-6-16/h5-12,15,20H,13-14H2,1-4H3,(H,23,25)
InChIKeyORYFTDRXKYGLIS-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.04
Rot. Bonds8

About N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide (PubChem CID 110281894) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
PubChem CID110281894
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CCN(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H27FN2O2/c1-15(2)26-19-11-7-17(8-12-19)21(25)23-20(13-14-24(3)4)16-5-9-18(22)10-6-16/h5-12,15,20H,13-14H2,1-4H3,(H,23,25)
InChIKeyORYFTDRXKYGLIS-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide
CID 110281864
3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3934367
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-nitrobenzamide
CID 110281831
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 110281662
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110281854
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-ethylbutanamide
CID 110281896
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
CID 110281862
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 40514082
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
CID 110281659

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide (CID 110281894) is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC(CCN(C)C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide?
The InChIKey is ORYFTDRXKYGLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-15(2)26-19-11-7-17(8-12-19)21(25)23-20(13-14-24(3)4)16-5-9-18(22)10-6-16/h5-12,15,20H,13-14H2,1-4H3,(H,23,25).
What are the key properties of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide?
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide has a molecular weight of 358.46 g/mol, XLogP of 4.04, 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-propan-2-yloxybenzamide is sourced from PubChem (CID 110281894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).