N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide

C19H20ClF2N3O — CID 113111009

IUPACN-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C19H20ClF2N3O/c20-15-4-1-3-14(13-15)7-8-23-19(26)25-11-9-24(10-12-25)18-16(21)5-2-6-17(18)22/h1-6,13H,7-12H2,(H,23,26)
InChIKeySLXJKFXTILATSJ-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.69
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide

N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113111009) has the molecular formula C19H20ClF2N3O and a molecular weight of 379.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide
PubChem CID113111009
Molecular FormulaC19H20ClF2N3O
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C19H20ClF2N3O/c20-15-4-1-3-14(13-15)7-8-23-19(26)25-11-9-24(10-12-25)18-16(21)5-2-6-17(18)22/h1-6,13H,7-12H2,(H,23,26)
InChIKeySLXJKFXTILATSJ-UHFFFAOYSA-N
XLogP3.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979
4-tert-butyl-N-[2-(3-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113110302
N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113111006
4-(2,6-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109230
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119064353
N-[2-(3-chlorophenyl)ethyl]-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105682
N-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113103949
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108990215
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
CID 154904649

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide (CID 113111009) is N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide is O=C(NCCc1cccc(Cl)c1)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is SLXJKFXTILATSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O/c20-15-4-1-3-14(13-15)7-8-23-19(26)25-11-9-24(10-12-25)18-16(21)5-2-6-17(18)22/h1-6,13H,7-12H2,(H,23,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 379.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).