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

C17H16Cl2FN3O — CID 108990187

IUPACN-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16Cl2FN3O/c18-12-2-1-3-14(10-12)22-6-8-23(9-7-22)17(24)21-13-4-5-16(20)15(19)11-13/h1-5,10-11H,6-9H2,(H,21,24)
InChIKeyQAPLYWHNJVNYMU-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.49
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide (PubChem CID 108990187) has the molecular formula C17H16Cl2FN3O and a molecular weight of 368.24 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
PubChem CID108990187
Molecular FormulaC17H16Cl2FN3O
Molecular Weight368.24 g/mol
Exact Mass367.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16Cl2FN3O/c18-12-2-1-3-14(10-12)22-6-8-23(9-7-22)17(24)21-13-4-5-16(20)15(19)11-13/h1-5,10-11H,6-9H2,(H,21,24)
InChIKeyQAPLYWHNJVNYMU-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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Related Compounds

4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
CID 113113323
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 60554267
4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112138
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
N-(3,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114108
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide (CID 108990187) is N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is QAPLYWHNJVNYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O/c18-12-2-1-3-14(10-12)22-6-8-23(9-7-22)17(24)21-13-4-5-16(20)15(19)11-13/h1-5,10-11H,6-9H2,(H,21,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)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 N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108990187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).