N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide

C19H19ClF3N3O3 — CID 86879234

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)o1
InChIInChI=1S/C19H19ClF3N3O3/c1-12-2-5-16(29-12)18(28)26-8-6-25(7-9-26)11-17(27)24-15-10-13(19(21,22)23)3-4-14(15)20/h2-5,10H,6-9,11H2,1H3,(H,24,27)
InChIKeyBYFFFMWGVCUWFB-UHFFFAOYSA-N
MW429.83 g/mol
LogP3.66
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 86879234) has the molecular formula C19H19ClF3N3O3 and a molecular weight of 429.83 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID86879234
Molecular FormulaC19H19ClF3N3O3
Molecular Weight429.83 g/mol
Exact Mass429.11
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)o1
InChIInChI=1S/C19H19ClF3N3O3/c1-12-2-5-16(29-12)18(28)26-8-6-25(7-9-26)11-17(27)24-15-10-13(19(21,22)23)3-4-14(15)20/h2-5,10H,6-9,11H2,1H3,(H,24,27)
InChIKeyBYFFFMWGVCUWFB-UHFFFAOYSA-N
XLogP3.66
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194773
2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690692
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467108
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 1276717
2-[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 32753939
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5079389
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3236086
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 86879204
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 17087722
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide (CID 86879234) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide is Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)o1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is BYFFFMWGVCUWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3/c1-12-2-5-16(29-12)18(28)26-8-6-25(7-9-26)11-17(27)24-15-10-13(19(21,22)23)3-4-14(15)20/h2-5,10H,6-9,11H2,1H3,(H,24,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 429.83 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86879234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).