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

C18H17Cl2N3O2 — CID 6456877

IUPACN-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2N3O2/c19-14-6-4-13(5-7-14)17(24)21-18(25)23-10-8-22(9-11-23)16-3-1-2-15(20)12-16/h1-7,12H,8-11H2,(H,21,24,25)
InChIKeyFALHLYSMFLFZIY-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.67
Rot. Bonds2

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

N-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide (PubChem CID 6456877) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
PubChem CID6456877
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2N3O2/c19-14-6-4-13(5-7-14)17(24)21-18(25)23-10-8-22(9-11-23)16-3-1-2-15(20)12-16/h1-7,12H,8-11H2,(H,21,24,25)
InChIKeyFALHLYSMFLFZIY-UHFFFAOYSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
Pencycuron-ketone
CID 139595074
4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428850
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
(R)-1-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)urea
CID 9980155
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-trans-but-2-enyl)-4-(6-oxo-1,6-dihydropyridin-2-yl)benzamide
CID 44427820
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 4150876
4-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 471639
3-(3-chlorophenyl)quinazoline-2,4(1H,3H)-dione
CID 659914
1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
CID 897167
Cloperidone Hydrochloride
CID 10674

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide (CID 6456877) is N-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide is O=C(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is FALHLYSMFLFZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c19-14-6-4-13(5-7-14)17(24)21-18(25)23-10-8-22(9-11-23)16-3-1-2-15(20)12-16/h1-7,12H,8-11H2,(H,21,24,25).
What are the key properties of N-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide?
N-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 378.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)-4-(3-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6456877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).