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

C19H21Cl2N3O2 — CID 4286043

IUPAC4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-2-26-16-6-3-14(4-7-16)22-19(25)24-11-9-23(10-12-24)15-5-8-17(20)18(21)13-15/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyKBCQNQZNOXAVST-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.75
Rot. Bonds4

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

4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 4286043) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID4286043
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-2-26-16-6-3-14(4-7-16)22-19(25)24-11-9-23(10-12-24)15-5-8-17(20)18(21)13-15/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyKBCQNQZNOXAVST-UHFFFAOYSA-N
XLogP4.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Chloroxuron
CID 16115
1-(3,4-Dichloro-phenyl)-3-(4-methoxy-phenyl)-urea
CID 853588
1-(3,4-Dichlorophenyl)-3-[4-methoxy-3-[2-(piperidin-1-yl)ethoxy]phenyl]imidazolidin-2-one
CID 10217207
1-(4-Chloro-phenyl)-3-[4-(4-fluoro-phenoxy)-cyclohexyl]-urea
CID 11581328
1-(2,6-Dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea
CID 71625599
1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 71625710
1-(3,5-Dichlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 71625711
1-(3,5-Dichloro-4-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 71625712
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-N'-(4-methoxyphenyl)urea
CID 5308271
1-(4-Ethoxyphenyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}urea
CID 15989668
3-{2-[4-(5-Chloro-2-methylphenyl)piperazin-1-YL]ethyl}-1-(4-ethoxyphenyl)urea
CID 15989693
N-(3-chloro-4-methylphenyl)-N'-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}urea
CID 22430382

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 4286043) is 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is KBCQNQZNOXAVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-2-26-16-6-3-14(4-7-16)22-19(25)24-11-9-23(10-12-24)15-5-8-17(20)18(21)13-15/h3-8,13H,2,9-12H2,1H3,(H,22,25).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4286043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).