3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide

C18H21FN2O2 — CID 120832621

IUPAC3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O2/c1-13(20-2)11-21-18(22)15-6-3-5-14(9-15)12-23-17-8-4-7-16(19)10-17/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyLWLHSQPMKWGHKJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.74
Rot. Bonds7

About 3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide

3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide (PubChem CID 120832621) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide
PubChem CID120832621
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O2/c1-13(20-2)11-21-18(22)15-6-3-5-14(9-15)12-23-17-8-4-7-16(19)10-17/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyLWLHSQPMKWGHKJ-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide
CID 96547643
3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120943608
N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
N-(2-methylpropyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 903861
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176390
dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
CID 2539131

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide (CID 120832621) is 3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide?
The InChIKey is LWLHSQPMKWGHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13(20-2)11-21-18(22)15-6-3-5-14(9-15)12-23-17-8-4-7-16(19)10-17/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide?
3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide has a molecular weight of 316.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 120832621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).