N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide

C12H15F3N2O3 — CID 87873943

IUPACN-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(CC(N)CO)C(=O)C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3/c1-20-10-4-2-3-9(5-10)17(6-8(16)7-18)11(19)12(13,14)15/h2-5,8,18H,6-7,16H2,1H3
InChIKeyXXIOYDPFYVNIIU-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.91
Rot. Bonds5

About N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide

N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide (PubChem CID 87873943) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide
PubChem CID87873943
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC NameN-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(CC(N)CO)C(=O)C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3/c1-20-10-4-2-3-9(5-10)17(6-8(16)7-18)11(19)12(13,14)15/h2-5,8,18H,6-7,16H2,1H3
InChIKeyXXIOYDPFYVNIIU-UHFFFAOYSA-N
XLogP0.91
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
1-(2-hydroxyethyl)-1-(3-methoxyphenyl)urea
CID 91413546
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
3,3,3-trifluoro-2-[(3-methoxy-N-methylanilino)methyl]propanimidamide
CID 103370690
methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 23091390
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204
2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate
CID 70633501
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
1-(3-methoxyphenyl)-1-propan-2-ylurea
CID 3032131

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide (CID 87873943) is N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide is COc1cccc(N(CC(N)CO)C(=O)C(F)(F)F)c1.
What is the InChIKey of N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide?
The InChIKey is XXIOYDPFYVNIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-20-10-4-2-3-9(5-10)17(6-8(16)7-18)11(19)12(13,14)15/h2-5,8,18H,6-7,16H2,1H3.
What are the key properties of N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide?
N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide has a molecular weight of 292.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxypropyl)-2,2,2-trifluoro-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 87873943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).