4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide

C17H16Cl2FN3O — CID 982735

IUPAC4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H16Cl2FN3O/c18-15-6-5-14(11-16(15)19)22-7-9-23(10-8-22)17(24)21-13-3-1-12(20)2-4-13/h1-6,11H,7-10H2,(H,21,24)
InChIKeyOZWLSESCMVQRNI-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.49
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide

4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 982735) has the molecular formula C17H16Cl2FN3O and a molecular weight of 368.24 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID982735
Molecular FormulaC17H16Cl2FN3O
Molecular Weight368.24 g/mol
Exact Mass367.07
IUPAC Name4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H16Cl2FN3O/c18-15-6-5-14(11-16(15)19)22-7-9-23(10-8-22)17(24)21-13-3-1-12(20)2-4-13/h1-6,11H,7-10H2,(H,21,24)
InChIKeyOZWLSESCMVQRNI-UHFFFAOYSA-N
XLogP4.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 982735) is 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is OZWLSESCMVQRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O/c18-15-6-5-14(11-16(15)19)22-7-9-23(10-8-22)17(24)21-13-3-1-12(20)2-4-13/h1-6,11H,7-10H2,(H,21,24).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 368.24 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 982735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).