N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide

C18H20ClF3N4O2 — CID 71910064

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
SMILESCC(C)Cn1ccnc(N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1=O
InChIInChI=1S/C18H20ClF3N4O2/c1-11(2)9-26-7-6-23-16(17(26)28)25(3)10-15(27)24-12-4-5-14(19)13(8-12)18(20,21)22/h4-8,11H,9-10H2,1-3H3,(H,24,27)
InChIKeyPYLWOAIWXAHHIL-UHFFFAOYSA-N
MW416.83 g/mol
LogP3.65
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide (PubChem CID 71910064) has the molecular formula C18H20ClF3N4O2 and a molecular weight of 416.83 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
PubChem CID71910064
Molecular FormulaC18H20ClF3N4O2
Molecular Weight416.83 g/mol
Exact Mass416.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
SMILESCC(C)Cn1ccnc(N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1=O
InChIInChI=1S/C18H20ClF3N4O2/c1-11(2)9-26-7-6-23-16(17(26)28)25(3)10-15(27)24-12-4-5-14(19)13(8-12)18(20,21)22/h4-8,11H,9-10H2,1-3H3,(H,24,27)
InChIKeyPYLWOAIWXAHHIL-UHFFFAOYSA-N
XLogP3.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
CID 133424150
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 16577066
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 683122
(2R)-N-carbamoyl-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38349898
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55771223
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
(2R)-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-cyanophenyl)propanamide
CID 2462077
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide
CID 52565512
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
2-[benzyl(propan-2-yl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109005704

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide (CID 71910064) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide is CC(C)Cn1ccnc(N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1=O.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
The InChIKey is PYLWOAIWXAHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4O2/c1-11(2)9-26-7-6-23-16(17(26)28)25(3)10-15(27)24-12-4-5-14(19)13(8-12)18(20,21)22/h4-8,11H,9-10H2,1-3H3,(H,24,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide has a molecular weight of 416.83 g/mol, XLogP of 3.65, 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-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide is sourced from PubChem (CID 71910064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).