N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide

C27H27Cl2N3O — CID 67711025

IUPACN-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide
SMILESCCC(CN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1cccc2c1-c1ccccc1-2
InChIInChI=1S/C27H27Cl2N3O/c1-2-18(17-31-13-15-32(16-14-31)24-12-6-11-23(28)26(24)29)30-27(33)22-10-5-9-21-19-7-3-4-8-20(19)25(21)22/h3-12,18H,2,13-17H2,1H3,(H,30,33)
InChIKeyGNZGUVIJAOUUAL-UHFFFAOYSA-N
MW480.44 g/mol
LogP5.97
Rot. Bonds6

About N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide

N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide (PubChem CID 67711025) has the molecular formula C27H27Cl2N3O and a molecular weight of 480.44 g/mol. Its IUPAC name is N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide
PubChem CID67711025
Molecular FormulaC27H27Cl2N3O
Molecular Weight480.44 g/mol
Exact Mass479.15
IUPAC NameN-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide
SMILESCCC(CN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1cccc2c1-c1ccccc1-2
InChIInChI=1S/C27H27Cl2N3O/c1-2-18(17-31-13-15-32(16-14-31)24-12-6-11-23(28)26(24)29)30-27(33)22-10-5-9-21-19-7-3-4-8-20(19)25(21)22/h3-12,18H,2,13-17H2,1H3,(H,30,33)
InChIKeyGNZGUVIJAOUUAL-UHFFFAOYSA-N
XLogP5.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.44
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9,10-dioxoanthracene-2-carboxamide
CID 70087838
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide
CID 55101832
1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol
CID 58358793
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-fluorobutyl]isoindole-1,3-dione
CID 53248155
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide
CID 10874342
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 58358858
5-(4-chlorophenyl)-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1,2-dimethylpyrrole-3-carboxamide
CID 45279763

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide?
The IUPAC name of N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide (CID 67711025) is N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide.
What is the SMILES notation for N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide?
The canonical SMILES for N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide is CCC(CN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1cccc2c1-c1ccccc1-2.
What is the InChIKey of N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide?
The InChIKey is GNZGUVIJAOUUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N3O/c1-2-18(17-31-13-15-32(16-14-31)24-12-6-11-23(28)26(24)29)30-27(33)22-10-5-9-21-19-7-3-4-8-20(19)25(21)22/h3-12,18H,2,13-17H2,1H3,(H,30,33).
What are the key properties of N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide?
N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide has a molecular weight of 480.44 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-yl]biphenylene-1-carboxamide is sourced from PubChem (CID 67711025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).