N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide

C12H15F3N2O2 — CID 63226538

IUPACN-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
SMILESCOc1cccc(NC(=O)CNCCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-19-10-4-2-3-9(7-10)17-11(18)8-16-6-5-12(13,14)15/h2-4,7,16H,5-6,8H2,1H3,(H,17,18)
InChIKeyXYIZNZZTOUSHHR-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.18
Rot. Bonds6

About N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide

N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide (PubChem CID 63226538) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
PubChem CID63226538
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
SMILESCOc1cccc(NC(=O)CNCCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-19-10-4-2-3-9(7-10)17-11(18)8-16-6-5-12(13,14)15/h2-4,7,16H,5-6,8H2,1H3,(H,17,18)
InChIKeyXYIZNZZTOUSHHR-UHFFFAOYSA-N
XLogP2.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
CID 106237534
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
N-(3-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82940732
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106147288
N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide
CID 115519079
N-(3-methoxyphenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905462
3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106276999
N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325697
2-(3-ethylpentan-3-ylamino)-N-(3-methoxyphenyl)acetamide
CID 65038567
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide
CID 106047194

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide (CID 63226538) is N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide is COc1cccc(NC(=O)CNCCC(F)(F)F)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide?
The InChIKey is XYIZNZZTOUSHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-19-10-4-2-3-9(7-10)17-11(18)8-16-6-5-12(13,14)15/h2-4,7,16H,5-6,8H2,1H3,(H,17,18).
What are the key properties of N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide?
N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide has a molecular weight of 276.26 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide is sourced from PubChem (CID 63226538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).