2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride

C18H20ClF3N2O2 — CID 119699219

IUPAC2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)13-25-12-15-8-6-14(7-9-15)10-23-17(24)11-22-16-4-2-1-3-5-16;/h1-9,22H,10-13H2,(H,23,24);1H
InChIKeyMMBZLYRWORXVAC-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.92
Rot. Bonds8

About 2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride

2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119699219) has the molecular formula C18H20ClF3N2O2 and a molecular weight of 388.82 g/mol. Its IUPAC name is 2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride
PubChem CID119699219
Molecular FormulaC18H20ClF3N2O2
Molecular Weight388.82 g/mol
Exact Mass388.12
IUPAC Name2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CNc1ccccc1)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)13-25-12-15-8-6-14(7-9-15)10-23-17(24)11-22-16-4-2-1-3-5-16;/h1-9,22H,10-13H2,(H,23,24);1H
InChIKeyMMBZLYRWORXVAC-UHFFFAOYSA-N
XLogP3.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546257
N-benzyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721632
2-anilino-N-[(4-bromophenyl)methyl]acetamide
CID 60862420
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 41199883
2-[[N'-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]carbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111857756
2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 111430375
1-[(2-methylphenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24612899
tert-butyl N-[4-oxo-4-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butyl]carbamate
CID 55527464
2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 16582112
2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55890647

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride (CID 119699219) is 2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride is Cl.O=C(CNc1ccccc1)NCc1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is MMBZLYRWORXVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)13-25-12-15-8-6-14(7-9-15)10-23-17(24)11-22-16-4-2-1-3-5-16;/h1-9,22H,10-13H2,(H,23,24);1H.
What are the key properties of 2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride?
2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119699219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).