4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide

C18H21FN2O3 — CID 110887813

IUPAC4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC(O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3/c1-20-18(23)14-4-2-13(3-5-14)10-21-11-16(22)12-24-17-8-6-15(19)7-9-17/h2-9,16,21-22H,10-12H2,1H3,(H,20,23)
InChIKeyIGLJPHFWPWJHLI-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.71
Rot. Bonds8

About 4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide

4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide (PubChem CID 110887813) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide
PubChem CID110887813
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC(O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3/c1-20-18(23)14-4-2-13(3-5-14)10-21-11-16(22)12-24-17-8-6-15(19)7-9-17/h2-9,16,21-22H,10-12H2,1H3,(H,20,23)
InChIKeyIGLJPHFWPWJHLI-UHFFFAOYSA-N
XLogP1.71
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]benzonitrile
CID 56814710
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106276848
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide
CID 28620047
4-fluoro-N-[2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55947281
N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
CID 39389632
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide (CID 110887813) is 4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCC(O)COc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide?
The InChIKey is IGLJPHFWPWJHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-20-18(23)14-4-2-13(3-5-14)10-21-11-16(22)12-24-17-8-6-15(19)7-9-17/h2-9,16,21-22H,10-12H2,1H3,(H,20,23).
What are the key properties of 4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide?
4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide has a molecular weight of 332.38 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 110887813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).