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

C20H23ClFN3O — CID 113107783

IUPACN-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C20H23ClFN3O/c21-18-7-3-1-6-17(18)15-23-20(26)25-13-11-24(12-14-25)10-9-16-5-2-4-8-19(16)22/h1-8H,9-15H2,(H,23,26)
InChIKeyQEGYPBAZROFWJW-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.55
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113107783) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID113107783
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C20H23ClFN3O/c21-18-7-3-1-6-17(18)15-23-20(26)25-13-11-24(12-14-25)10-9-16-5-2-4-8-19(16)22/h1-8H,9-15H2,(H,23,26)
InChIKeyQEGYPBAZROFWJW-UHFFFAOYSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105167
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide
CID 119066622
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
N-[2-(2-fluorophenyl)ethyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109022

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (CID 113107783) is N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is O=C(NCc1ccccc1Cl)N1CCN(CCc2ccccc2F)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is QEGYPBAZROFWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c21-18-7-3-1-6-17(18)15-23-20(26)25-13-11-24(12-14-25)10-9-16-5-2-4-8-19(16)22/h1-8H,9-15H2,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113107783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).