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

C19H21ClFN3O — CID 110412057

IUPACN-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C19H21ClFN3O/c20-16-5-7-17(8-6-16)22-19(25)24-13-11-23(12-14-24)10-9-15-3-1-2-4-18(15)21/h1-8H,9-14H2,(H,22,25)
InChIKeyYMCHBNHRWRXSHY-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.87
Rot. Bonds4

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

N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 110412057) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID110412057
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC NameN-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C19H21ClFN3O/c20-16-5-7-17(8-6-16)22-19(25)24-13-11-23(12-14-24)10-9-15-3-1-2-4-18(15)21/h1-8H,9-14H2,(H,22,25)
InChIKeyYMCHBNHRWRXSHY-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-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108987
N-(5-chloro-2-methylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108965
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783
4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
CID 113075230
2-(4-chlorophenoxy)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412047
4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 19293584
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (CID 110412057) is N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(CCc2ccccc2F)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is YMCHBNHRWRXSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-16-5-7-17(8-6-16)22-19(25)24-13-11-23(12-14-24)10-9-15-3-1-2-4-18(15)21/h1-8H,9-14H2,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]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 N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 110412057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).