4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide

C17H17BrClN3O — CID 113113017

IUPAC4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C17H17BrClN3O/c18-13-2-1-3-16(12-13)21-8-10-22(11-9-21)17(23)20-15-6-4-14(19)5-7-15/h1-7,12H,8-11H2,(H,20,23)
InChIKeyHYEVSHOOSBQNOI-UHFFFAOYSA-N
MW394.70 g/mol
LogP4.46
Rot. Bonds2

About 4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide

4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide (PubChem CID 113113017) has the molecular formula C17H17BrClN3O and a molecular weight of 394.70 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
PubChem CID113113017
Molecular FormulaC17H17BrClN3O
Molecular Weight394.70 g/mol
Exact Mass393.02
IUPAC Name4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C17H17BrClN3O/c18-13-2-1-3-16(12-13)21-8-10-22(11-9-21)17(23)20-15-6-4-14(19)5-7-15/h1-7,12H,8-11H2,(H,20,23)
InChIKeyHYEVSHOOSBQNOI-UHFFFAOYSA-N
XLogP4.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.70
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113113026
N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
CID 113113323
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 170459085
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 50805266

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide (CID 113113017) is 4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc(Br)c2)CC1.
What is the InChIKey of 4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is HYEVSHOOSBQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3O/c18-13-2-1-3-16(12-13)21-8-10-22(11-9-21)17(23)20-15-6-4-14(19)5-7-15/h1-7,12H,8-11H2,(H,20,23).
What are the key properties of 4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide?
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 394.70 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).