N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide

C19H21F3N2O2 — CID 52502800

IUPACN-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H21F3N2O2/c1-13(16-5-9-18(10-6-16)26-12-19(20,21)22)23-11-15-3-7-17(8-4-15)24-14(2)25/h3-10,13,23H,11-12H2,1-2H3,(H,24,25)/t13-/m0/s1
InChIKeyCYULULYBLSAKGM-ZDUSSCGKSA-N
MW366.38 g/mol
LogP4.44
Rot. Bonds7

About N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide

N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide (PubChem CID 52502800) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide
PubChem CID52502800
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H21F3N2O2/c1-13(16-5-9-18(10-6-16)26-12-19(20,21)22)23-11-15-3-7-17(8-4-15)24-14(2)25/h3-10,13,23H,11-12H2,1-2H3,(H,24,25)/t13-/m0/s1
InChIKeyCYULULYBLSAKGM-ZDUSSCGKSA-N
XLogP4.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol
CID 110009803
N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide
CID 42955452
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 60586866
1-[1-(4-bromophenyl)ethyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112808744
N-[1-[6-[4-(2,2,2-trifluoroethoxy)anilino]naphthalen-2-yl]ethyl]acetamide
CID 68760878
N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide
CID 31113542
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
4-[[1-(4-propoxyphenyl)ethylamino]methyl]benzoic acid
CID 122030771
2-[(1R)-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]-6-(trifluoromethyl)phenol
CID 100619156
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 134026710

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide (CID 52502800) is N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide?
The InChIKey is CYULULYBLSAKGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-13(16-5-9-18(10-6-16)26-12-19(20,21)22)23-11-15-3-7-17(8-4-15)24-14(2)25/h3-10,13,23H,11-12H2,1-2H3,(H,24,25)/t13-/m0/s1.
What are the key properties of N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide?
N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide has a molecular weight of 366.38 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 52502800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).