4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C19H18ClF4N3O — CID 19293560

IUPAC4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H18ClF4N3O/c20-16-5-2-6-17(21)15(16)12-26-7-9-27(10-8-26)18(28)25-14-4-1-3-13(11-14)19(22,23)24/h1-6,11H,7-10,12H2,(H,25,28)
InChIKeyZMCIYQJOORGDER-UHFFFAOYSA-N
MW415.82 g/mol
LogP4.85
Rot. Bonds3

About 4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 19293560) has the molecular formula C19H18ClF4N3O and a molecular weight of 415.82 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID19293560
Molecular FormulaC19H18ClF4N3O
Molecular Weight415.82 g/mol
Exact Mass415.11
IUPAC Name4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H18ClF4N3O/c20-16-5-2-6-17(21)15(16)12-26-7-9-27(10-8-26)18(28)25-14-4-1-3-13(11-14)19(22,23)24/h1-6,11H,7-10,12H2,(H,25,28)
InChIKeyZMCIYQJOORGDER-UHFFFAOYSA-N
XLogP4.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.82
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 6464316
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 53078509
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
1-[(2-chloro-6-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 3793083
4-[(1-methylpyrazol-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 19293574
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498
4-(3-chloro-4-methylthiophene-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 138993854
2-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 2810274

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 19293560) is 4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is ZMCIYQJOORGDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF4N3O/c20-16-5-2-6-17(21)15(16)12-26-7-9-27(10-8-26)18(28)25-14-4-1-3-13(11-14)19(22,23)24/h1-6,11H,7-10,12H2,(H,25,28).
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 415.82 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 19293560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).