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

C18H19ClFN3O2 — CID 6467078

IUPACN-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C18H19ClFN3O2/c1-25-17-5-3-2-4-16(17)22-8-10-23(11-9-22)18(24)21-13-6-7-15(20)14(19)12-13/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyPYSUGRUBWQCQTQ-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.84
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 6467078) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID6467078
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C18H19ClFN3O2/c1-25-17-5-3-2-4-16(17)22-8-10-23(11-9-22)18(24)21-13-6-7-15(20)14(19)12-13/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyPYSUGRUBWQCQTQ-UHFFFAOYSA-N
XLogP3.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.84
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-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 6467078) is N-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is PYSUGRUBWQCQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-25-17-5-3-2-4-16(17)22-8-10-23(11-9-22)18(24)21-13-6-7-15(20)14(19)12-13/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 3.84, 3 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-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6467078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).