4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide

C18H19ClFN3O2 — CID 113112777

IUPAC4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H19ClFN3O2/c1-25-17-7-2-13(19)12-16(17)22-8-10-23(11-9-22)18(24)21-15-5-3-14(20)4-6-15/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyAJQCDBTUZPDWFK-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.84
Rot. Bonds3

About 4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide

4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113112777) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID113112777
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H19ClFN3O2/c1-25-17-7-2-13(19)12-16(17)22-8-10-23(11-9-22)18(24)21-15-5-3-14(20)4-6-15/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyAJQCDBTUZPDWFK-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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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113450
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593
4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111403
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113817
N-(4-tert-butylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113112691
2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
CID 134069379

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 113112777) is 4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide is COc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is AJQCDBTUZPDWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-25-17-7-2-13(19)12-16(17)22-8-10-23(11-9-22)18(24)21-15-5-3-14(20)4-6-15/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)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 4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).