4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

C24H23Cl2N3O2 — CID 11648199

IUPAC4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3ccc(Cl)c(Cl)c3)c2)CC1
InChIInChI=1S/C24H23Cl2N3O2/c25-22-10-9-21(16-23(22)26)31-20-8-4-5-18(15-20)17-28-11-13-29(14-12-28)24(30)27-19-6-2-1-3-7-19/h1-10,15-16H,11-14,17H2,(H,27,30)
InChIKeyKAOBKABJOCVZPX-UHFFFAOYSA-N
MW456.37 g/mol
LogP6.14
Rot. Bonds5

About 4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 11648199) has the molecular formula C24H23Cl2N3O2 and a molecular weight of 456.37 g/mol. Its IUPAC name is 4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID11648199
Molecular FormulaC24H23Cl2N3O2
Molecular Weight456.37 g/mol
Exact Mass455.12
IUPAC Name4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3ccc(Cl)c(Cl)c3)c2)CC1
InChIInChI=1S/C24H23Cl2N3O2/c25-22-10-9-21(16-23(22)26)31-20-8-4-5-18(15-20)17-28-11-13-29(14-12-28)24(30)27-19-6-2-1-3-7-19/h1-10,15-16H,11-14,17H2,(H,27,30)
InChIKeyKAOBKABJOCVZPX-UHFFFAOYSA-N
XLogP6.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{3-[(3-Chloro-5-Methoxybenzyl)amino]propyl}-3-Phenylurea
CID 60195001
1-[2-(4-Chloro-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 10927348
4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 11553493
4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 11682511
4-[[3-(4-methylphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 11704069
1-Piperazinecarboxamide, 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenyl-
CID 11704494
N-(3-{1-[3-(4-Chlorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756637
N-(3-{1-[3-(3,4-Dichlorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756639
N-(3-{1-[3-(3,5-dichlorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756640
N-(3-{1-[4-(3,4-dichlorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756752
1-(4-Chlorophenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
CID 14514736
1-(3-Chlorophenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
CID 14514737

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (CID 11648199) is 4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3ccc(Cl)c(Cl)c3)c2)CC1.
What is the InChIKey of 4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is KAOBKABJOCVZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O2/c25-22-10-9-21(16-23(22)26)31-20-8-4-5-18(15-20)17-28-11-13-29(14-12-28)24(30)27-19-6-2-1-3-7-19/h1-10,15-16H,11-14,17H2,(H,27,30).
What are the key properties of 4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 456.37 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,4-dichlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11648199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).