4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide

C19H21ClFN3O — CID 113112138

IUPAC4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21ClFN3O/c1-2-14-3-5-15(6-4-14)22-19(25)24-11-9-23(10-12-24)16-7-8-18(21)17(20)13-16/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyGYTBFTPZZUOPPQ-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.40
Rot. Bonds3

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

4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide (PubChem CID 113112138) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
PubChem CID113112138
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21ClFN3O/c1-2-14-3-5-15(6-4-14)22-19(25)24-11-9-23(10-12-24)16-7-8-18(21)17(20)13-16/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyGYTBFTPZZUOPPQ-UHFFFAOYSA-N
XLogP4.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
CID 113113323
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
methyl 4-[4-[(3,4-difluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113114382
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide (CID 113112138) is 4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)cc1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is GYTBFTPZZUOPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c1-2-14-3-5-15(6-4-14)22-19(25)24-11-9-23(10-12-24)16-7-8-18(21)17(20)13-16/h3-8,13H,2,9-12H2,1H3,(H,22,25).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 361.85 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).