N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide

C22H28ClN3O — CID 55757427

IUPACN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C22H28ClN3O/c1-2-25-13-15-26(16-14-25)21-12-11-19(23)17-20(21)24-22(27)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-12,17H,2,6,9-10,13-16H2,1H3,(H,24,27)
InChIKeyZMTYLBFKKPSNOB-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.44
Rot. Bonds7

About N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide (PubChem CID 55757427) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
PubChem CID55757427
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC NameN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C22H28ClN3O/c1-2-25-13-15-26(16-14-25)21-12-11-19(23)17-20(21)24-22(27)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-12,17H,2,6,9-10,13-16H2,1H3,(H,24,27)
InChIKeyZMTYLBFKKPSNOB-UHFFFAOYSA-N
XLogP4.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide
CID 7892322
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-ylacetamide
CID 7535492
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 7491964
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55669090
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535040
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17451721
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 55361022
1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-hydroxyethyl)urea
CID 110894304
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
CID 55359272

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide?
The IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide (CID 55757427) is N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide is CCN1CCN(c2ccc(Cl)cc2NC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide?
The InChIKey is ZMTYLBFKKPSNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-2-25-13-15-26(16-14-25)21-12-11-19(23)17-20(21)24-22(27)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-12,17H,2,6,9-10,13-16H2,1H3,(H,24,27).
What are the key properties of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide?
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide has a molecular weight of 385.94 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 55757427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).