N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide

C18H18BrF3N2O — CID 86861047

IUPACN-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
SMILESCC(NC(=O)CNC(c1ccccc1)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrF3N2O/c1-12(13-7-9-15(19)10-8-13)24-16(25)11-23-17(18(20,21)22)14-5-3-2-4-6-14/h2-10,12,17,23H,11H2,1H3,(H,24,25)
InChIKeyDQLWRHBQRRDURJ-UHFFFAOYSA-N
MW415.25 g/mol
LogP4.52
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide (PubChem CID 86861047) has the molecular formula C18H18BrF3N2O and a molecular weight of 415.25 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
PubChem CID86861047
Molecular FormulaC18H18BrF3N2O
Molecular Weight415.25 g/mol
Exact Mass414.06
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
SMILESCC(NC(=O)CNC(c1ccccc1)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrF3N2O/c1-12(13-7-9-15(19)10-8-13)24-16(25)11-23-17(18(20,21)22)14-5-3-2-4-6-14/h2-10,12,17,23H,11H2,1H3,(H,24,25)
InChIKeyDQLWRHBQRRDURJ-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-[[2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 86860974
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
(2S,3S)-2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099946
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307629
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide (CID 86861047) is N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide is CC(NC(=O)CNC(c1ccccc1)C(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The InChIKey is DQLWRHBQRRDURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF3N2O/c1-12(13-7-9-15(19)10-8-13)24-16(25)11-23-17(18(20,21)22)14-5-3-2-4-6-14/h2-10,12,17,23H,11H2,1H3,(H,24,25).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide has a molecular weight of 415.25 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide is sourced from PubChem (CID 86861047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).