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

C19H21ClFN3O — CID 113109928

IUPAC4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClFN3O/c20-16-6-4-15(5-7-16)8-9-23-10-12-24(13-11-23)19(25)22-18-3-1-2-17(21)14-18/h1-7,14H,8-13H2,(H,22,25)
InChIKeyIJZAQEKSJUDIIA-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.87
Rot. Bonds4

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

4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113109928) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID113109928
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClFN3O/c20-16-6-4-15(5-7-16)8-9-23-10-12-24(13-11-23)19(25)22-18-3-1-2-17(21)14-18/h1-7,14H,8-13H2,(H,22,25)
InChIKeyIJZAQEKSJUDIIA-UHFFFAOYSA-N
XLogP3.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide
CID 173123175
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
4-[2-[(3-chlorobenzoyl)-[(4-fluorophenyl)methyl]amino]ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 42710305
N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109157
4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
N-(4-chlorophenyl)-4-[2-[(3-chlorophenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]ethyl]piperazine-1-carboxamide
CID 42709979
N-(2-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109911
N-[2-(4-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109096
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 17148906
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide (CID 113109928) is 4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is IJZAQEKSJUDIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-16-6-4-15(5-7-16)8-9-23-10-12-24(13-11-23)19(25)22-18-3-1-2-17(21)14-18/h1-7,14H,8-13H2,(H,22,25).
What are the key properties of 4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 361.85 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113109928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).