N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide

C16H18ClF3N4O2 — CID 52565512

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide
SMILESCCc1noc([C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C16H18ClF3N4O2/c1-4-13-22-15(26-23-13)9(2)24(3)8-14(25)21-10-5-6-12(17)11(7-10)16(18,19)20/h5-7,9H,4,8H2,1-3H3,(H,21,25)/t9-/m0/s1
InChIKeyBUDCUGVOWGWJPH-VIFPVBQESA-N
MW390.79 g/mol
LogP3.94
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide (PubChem CID 52565512) has the molecular formula C16H18ClF3N4O2 and a molecular weight of 390.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide
PubChem CID52565512
Molecular FormulaC16H18ClF3N4O2
Molecular Weight390.79 g/mol
Exact Mass390.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide
SMILESCCc1noc([C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C16H18ClF3N4O2/c1-4-13-22-15(26-23-13)9(2)24(3)8-14(25)21-10-5-6-12(17)11(7-10)16(18,19)20/h5-7,9H,4,8H2,1-3H3,(H,21,25)/t9-/m0/s1
InChIKeyBUDCUGVOWGWJPH-VIFPVBQESA-N
XLogP3.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-carbamoyl-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38349898
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 2608978
(2R)-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-cyanophenyl)propanamide
CID 2462077
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55499810
2-[benzyl(propan-2-yl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109005704
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 113158787
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46561916
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide (CID 52565512) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide is CCc1noc([C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide?
The InChIKey is BUDCUGVOWGWJPH-VIFPVBQESA-N. The full InChI is InChI=1S/C16H18ClF3N4O2/c1-4-13-22-15(26-23-13)9(2)24(3)8-14(25)21-10-5-6-12(17)11(7-10)16(18,19)20/h5-7,9H,4,8H2,1-3H3,(H,21,25)/t9-/m0/s1.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide has a molecular weight of 390.79 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide is sourced from PubChem (CID 52565512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).