4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide

C19H21Cl2N3O — CID 42266927

IUPAC4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2N3O/c20-16-3-1-15(2-4-16)19(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h1-8H,9-14H2,(H,22,25)
InChIKeyQZWLARXQWGIUBF-UHFFFAOYSA-N
MW378.30 g/mol
LogP3.55
Rot. Bonds5

About 4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide

4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 42266927) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID42266927
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2N3O/c20-16-3-1-15(2-4-16)19(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h1-8H,9-14H2,(H,22,25)
InChIKeyQZWLARXQWGIUBF-UHFFFAOYSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 42267000
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 42266962
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide (CID 42266927) is 4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is QZWLARXQWGIUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-16-3-1-15(2-4-16)19(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h1-8H,9-14H2,(H,22,25).
What are the key properties of 4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide?
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 378.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 42266927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).