N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide

C18H18Cl2FN3O — CID 4987887

IUPACN-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H18Cl2FN3O/c19-14-6-5-13(15(20)11-14)12-22-18(25)24-9-7-23(8-10-24)17-4-2-1-3-16(17)21/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyPDDDQAJTGWFHSJ-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.16
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 4987887) has the molecular formula C18H18Cl2FN3O and a molecular weight of 382.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID4987887
Molecular FormulaC18H18Cl2FN3O
Molecular Weight382.27 g/mol
Exact Mass381.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H18Cl2FN3O/c19-14-6-5-13(15(20)11-14)12-22-18(25)24-9-7-23(8-10-24)17-4-2-1-3-16(17)21/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyPDDDQAJTGWFHSJ-UHFFFAOYSA-N
XLogP4.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108990215
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
4-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 3782223
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 750916
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
4-(2,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107693
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
N-[(3-bromophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108898979
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134042609

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide (CID 4987887) is N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is PDDDQAJTGWFHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O/c19-14-6-5-13(15(20)11-14)12-22-18(25)24-9-7-23(8-10-24)17-4-2-1-3-16(17)21/h1-6,11H,7-10,12H2,(H,22,25).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 382.27 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4987887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).