3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide

C18H21FN2O3 — CID 95180097

IUPAC3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC[C@H](O)COc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3/c1-21(2)15-5-3-4-13(10-15)18(23)20-11-16(22)12-24-17-8-6-14(19)7-9-17/h3-10,16,22H,11-12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyBMDKRUCGDXANDI-INIZCTEOSA-N
MW332.38 g/mol
LogP2.06
Rot. Bonds7

About 3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide

3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide (PubChem CID 95180097) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
PubChem CID95180097
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC[C@H](O)COc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3/c1-21(2)15-5-3-4-13(10-15)18(23)20-11-16(22)12-24-17-8-6-14(19)7-9-17/h3-10,16,22H,11-12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyBMDKRUCGDXANDI-INIZCTEOSA-N
XLogP2.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
CID 111110998
3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 38796379
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
CID 111477320
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-4-methyl-3-nitrobenzamide
CID 94819249
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 95233211
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961
N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
CID 78909705
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
N-(2-cyanopropyl)-3-(dimethylamino)benzamide
CID 62652034

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide (CID 95180097) is 3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide is CN(C)c1cccc(C(=O)NC[C@H](O)COc2ccc(F)cc2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide?
The InChIKey is BMDKRUCGDXANDI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-21(2)15-5-3-4-13(10-15)18(23)20-11-16(22)12-24-17-8-6-14(19)7-9-17/h3-10,16,22H,11-12H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide?
3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide has a molecular weight of 332.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 95180097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).