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

C18H19ClFN3O — CID 6467007

IUPAC4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C18H19ClFN3O/c1-13-6-7-14(19)12-17(13)22-8-10-23(11-9-22)18(24)21-16-5-3-2-4-15(16)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyIISRMIYSLYWBPM-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.14
Rot. Bonds2

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

4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 6467007) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID6467007
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C18H19ClFN3O/c1-13-6-7-14(19)12-17(13)22-8-10-23(11-9-22)18(24)21-16-5-3-2-4-15(16)20/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyIISRMIYSLYWBPM-UHFFFAOYSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8591211
(2-chloro-6-fluorophenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 36944785
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
4-(5-chloro-2-methylphenyl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 78844020
4-(5-chloro-2-methylphenyl)-N-(2-ethylphenyl)piperazine-1-carbothioamide
CID 19655011
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 51386952

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide (CID 6467007) is 4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide is Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is IISRMIYSLYWBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c1-13-6-7-14(19)12-17(13)22-8-10-23(11-9-22)18(24)21-16-5-3-2-4-15(16)20/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of 4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 347.82 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6467007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).