4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide

C15H17ClF3N3O — CID 113103718

IUPAC4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C15H17ClF3N3O/c1-2-5-20-14(23)22-8-6-21(7-9-22)13-10-11(15(17,18)19)3-4-12(13)16/h2-4,10H,1,5-9H2,(H,20,23)
InChIKeyVCIUJJARHTVKTP-UHFFFAOYSA-N
MW347.77 g/mol
LogP3.38
Rot. Bonds3

About 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide

4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 113103718) has the molecular formula C15H17ClF3N3O and a molecular weight of 347.77 g/mol. Its IUPAC name is 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID113103718
Molecular FormulaC15H17ClF3N3O
Molecular Weight347.77 g/mol
Exact Mass347.10
IUPAC Name4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C15H17ClF3N3O/c1-2-5-20-14(23)22-8-6-21(7-9-22)13-10-11(15(17,18)19)3-4-12(13)16/h2-4,10H,1,5-9H2,(H,20,23)
InChIKeyVCIUJJARHTVKTP-UHFFFAOYSA-N
XLogP3.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108765
1-[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113078675
1-[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 113078668
1-[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113078672
3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide
CID 19906222
[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113078685
1-[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one
CID 130454993
N-prop-2-enyl-4-[2-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]piperazine-1-carboxamide
CID 42689254
S-[[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]thiohydroxylamine
CID 174875356
4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 113103755
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpropanediamide
CID 108941307
4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103750

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide (CID 113103718) is 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is VCIUJJARHTVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O/c1-2-5-20-14(23)22-8-6-21(7-9-22)13-10-11(15(17,18)19)3-4-12(13)16/h2-4,10H,1,5-9H2,(H,20,23).
What are the key properties of 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide?
4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 347.77 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 113103718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).