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

C19H20ClF2N3O — CID 113110971

IUPAC4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClF2N3O/c20-15-3-1-2-14(12-15)6-7-24-8-10-25(11-9-24)19(26)23-18-5-4-16(21)13-17(18)22/h1-5,12-13H,6-11H2,(H,23,26)
InChIKeyRGPNQHSJCQCZQR-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.01
Rot. Bonds4

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

4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113110971) has the molecular formula C19H20ClF2N3O and a molecular weight of 379.84 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
PubChem CID113110971
Molecular FormulaC19H20ClF2N3O
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClF2N3O/c20-15-3-1-2-14(12-15)6-7-24-8-10-25(11-9-24)19(26)23-18-5-4-16(21)13-17(18)22/h1-5,12-13H,6-11H2,(H,23,26)
InChIKeyRGPNQHSJCQCZQR-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113110975
4-[2-(3-chlorophenyl)ethyl]-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113110972
4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113109928
4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113110970
4-[(3,4-dichlorophenyl)methyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 2957495
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113075178
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
N-(2,4-difluorophenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103626
N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109387
4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110608445
N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109157
N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733892

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide (CID 113110971) is 4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCN(CCc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is RGPNQHSJCQCZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O/c20-15-3-1-2-14(12-15)6-7-24-8-10-25(11-9-24)19(26)23-18-5-4-16(21)13-17(18)22/h1-5,12-13H,6-11H2,(H,23,26).
What are the key properties of 4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 379.84 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).