N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide

C19H22ClFN2O3 — CID 55680016

IUPACN-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H22ClFN2O3/c1-13(24)22-14-6-8-16(9-7-14)26-12-15(25)10-23(2)11-17-18(20)4-3-5-19(17)21/h3-9,15,25H,10-12H2,1-2H3,(H,22,24)
InChIKeyYPQSKCLQMAMKGE-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.31
Rot. Bonds8

About N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide

N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 55680016) has the molecular formula C19H22ClFN2O3 and a molecular weight of 380.85 g/mol. Its IUPAC name is N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID55680016
Molecular FormulaC19H22ClFN2O3
Molecular Weight380.85 g/mol
Exact Mass380.13
IUPAC NameN-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H22ClFN2O3/c1-13(24)22-14-6-8-16(9-7-14)26-12-15(25)10-23(2)11-17-18(20)4-3-5-19(17)21/h3-9,15,25H,10-12H2,1-2H3,(H,22,24)
InChIKeyYPQSKCLQMAMKGE-UHFFFAOYSA-N
XLogP3.31
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 18224684
(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
CID 2090777
N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
CID 36970741
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056
N-(3-acetamidophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 32517503
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444
1-(2-chloro-6-fluorophenyl)-3-phenoxypropan-2-ol
CID 55104112
N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 46445236
N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 51725545
N-[4-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 51725544
N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
CID 110907951

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide (CID 55680016) is N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CN(C)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is YPQSKCLQMAMKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3/c1-13(24)22-14-6-8-16(9-7-14)26-12-15(25)10-23(2)11-17-18(20)4-3-5-19(17)21/h3-9,15,25H,10-12H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 380.85 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 55680016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).