4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

C19H19ClF3N3O — CID 11675654

IUPAC4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19ClF3N3O/c20-17-7-6-14(12-16(17)19(21,22)23)13-25-8-10-26(11-9-25)18(27)24-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyWMCIPHZRUSUYJI-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.71
Rot. Bonds3

About 4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 11675654) has the molecular formula C19H19ClF3N3O and a molecular weight of 397.83 g/mol. Its IUPAC name is 4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID11675654
Molecular FormulaC19H19ClF3N3O
Molecular Weight397.83 g/mol
Exact Mass397.12
IUPAC Name4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19ClF3N3O/c20-17-7-6-14(12-16(17)19(21,22)23)13-25-8-10-26(11-9-25)18(27)24-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyWMCIPHZRUSUYJI-UHFFFAOYSA-N
XLogP4.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (CID 11675654) is 4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is WMCIPHZRUSUYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O/c20-17-7-6-14(12-16(17)19(21,22)23)13-25-8-10-26(11-9-25)18(27)24-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,24,27).
What are the key properties of 4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 397.83 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11675654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).