N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide

C18H19F3N2O2 — CID 21282392

IUPACN-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(CCNC(=O)C(F)(F)F)cc1NCc1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-25-16-8-7-13(9-10-22-17(24)18(19,20)21)11-15(16)23-12-14-5-3-2-4-6-14/h2-8,11,23H,9-10,12H2,1H3,(H,22,24)
InChIKeyIUURLXOWKVEWAB-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.53
Rot. Bonds7

About N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide

N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 21282392) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide
PubChem CID21282392
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(CCNC(=O)C(F)(F)F)cc1NCc1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-25-16-8-7-13(9-10-22-17(24)18(19,20)21)11-15(16)23-12-14-5-3-2-4-6-14/h2-8,11,23H,9-10,12H2,1H3,(H,22,24)
InChIKeyIUURLXOWKVEWAB-UHFFFAOYSA-N
XLogP3.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide
CID 553439
2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
CID 11779359
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963881
3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 17058964
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
CID 19963458
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103731934
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963883
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108965012
2,2,2-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 885653
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 115178909
4-[(5-chloro-2-methoxyanilino)methyl]benzoic acid
CID 39398714

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide (CID 21282392) is N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide is COc1ccc(CCNC(=O)C(F)(F)F)cc1NCc1ccccc1.
What is the InChIKey of N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is IUURLXOWKVEWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-25-16-8-7-13(9-10-22-17(24)18(19,20)21)11-15(16)23-12-14-5-3-2-4-6-14/h2-8,11,23H,9-10,12H2,1H3,(H,22,24).
What are the key properties of N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 352.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21282392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).