4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide

C20H23ClFN3O3 — CID 17377810

IUPAC4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(F)c(Cl)c3)CC2)cc1OC
InChIInChI=1S/C20H23ClFN3O3/c1-27-18-6-4-15(12-19(18)28-2)23-20(26)25-9-7-24(8-10-25)13-14-3-5-17(22)16(21)11-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyQXAVRPIGBRFQKN-UHFFFAOYSA-N
MW407.87 g/mol
LogP3.85
Rot. Bonds5

About 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide

4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 17377810) has the molecular formula C20H23ClFN3O3 and a molecular weight of 407.87 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID17377810
Molecular FormulaC20H23ClFN3O3
Molecular Weight407.87 g/mol
Exact Mass407.14
IUPAC Name4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(F)c(Cl)c3)CC2)cc1OC
InChIInChI=1S/C20H23ClFN3O3/c1-27-18-6-4-15(12-19(18)28-2)23-20(26)25-9-7-24(8-10-25)13-14-3-5-17(22)16(21)11-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyQXAVRPIGBRFQKN-UHFFFAOYSA-N
XLogP3.85
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 31773245
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 6467974
4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 108866282
4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide
CID 51116707
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 17148904
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
4-[(3-fluoro-4-methoxyphenyl)methyl]-N-(3-methyl-4-nitrophenyl)piperazine-1-carboxamide
CID 112839855
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 17148906
N-(3-cyanophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113109998
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide (CID 17377810) is 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3ccc(F)c(Cl)c3)CC2)cc1OC.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is QXAVRPIGBRFQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O3/c1-27-18-6-4-15(12-19(18)28-2)23-20(26)25-9-7-24(8-10-25)13-14-3-5-17(22)16(21)11-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26).
What are the key properties of 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 407.87 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 17377810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).