N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide

C19H21ClFN3O2 — CID 1296735

IUPACN-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H21ClFN3O2/c1-2-26-18-6-4-3-5-17(18)23-9-11-24(12-10-23)19(25)22-14-7-8-16(21)15(20)13-14/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyTWZSWQUFPQGEJT-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.23
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide

N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 1296735) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID1296735
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H21ClFN3O2/c1-2-26-18-6-4-3-5-17(18)23-9-11-24(12-10-23)19(25)22-14-7-8-16(21)15(20)13-14/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyTWZSWQUFPQGEJT-UHFFFAOYSA-N
XLogP4.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide (CID 1296735) is N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is TWZSWQUFPQGEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-2-26-18-6-4-3-5-17(18)23-9-11-24(12-10-23)19(25)22-14-7-8-16(21)15(20)13-14/h3-8,13H,2,9-12H2,1H3,(H,22,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 377.85 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 1296735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).