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

C19H20Cl2FN3O — CID 108990215

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20Cl2FN3O/c20-15-6-5-14(16(21)13-15)7-8-23-19(26)25-11-9-24(10-12-25)18-4-2-1-3-17(18)22/h1-6,13H,7-12H2,(H,23,26)
InChIKeySEUFFHOKKFUQLU-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.21
Rot. Bonds4

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

N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 108990215) has the molecular formula C19H20Cl2FN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID108990215
Molecular FormulaC19H20Cl2FN3O
Molecular Weight396.29 g/mol
Exact Mass395.10
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20Cl2FN3O/c20-15-6-5-14(16(21)13-15)7-8-23-19(26)25-11-9-24(10-12-25)18-4-2-1-3-17(18)22/h1-6,13H,7-12H2,(H,23,26)
InChIKeySEUFFHOKKFUQLU-UHFFFAOYSA-N
XLogP4.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990328
4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046
4-[4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[(2-fluorobenzoyl)amino]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide
CID 15605007
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
3-(2,4-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029884
N-[2-(2-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108900383
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 750916
N-[2-(3-chlorophenyl)ethyl]-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113111009
4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539448

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide (CID 108990215) is N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is SEUFFHOKKFUQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN3O/c20-15-6-5-14(16(21)13-15)7-8-23-19(26)25-11-9-24(10-12-25)18-4-2-1-3-17(18)22/h1-6,13H,7-12H2,(H,23,26).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108990215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).