2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide

C23H30ClN3O2 — CID 5309735

IUPAC2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30ClN3O2/c1-2-29-18-6-13-25-23(28)22(19-9-11-20(24)12-10-19)27-16-14-26(15-17-27)21-7-4-3-5-8-21/h3-5,7-12,22H,2,6,13-18H2,1H3,(H,25,28)
InChIKeyGQRKQWYCEHKDNS-UHFFFAOYSA-N
MW415.97 g/mol
LogP3.75
Rot. Bonds9

About 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide

2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 5309735) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID5309735
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30ClN3O2/c1-2-29-18-6-13-25-23(28)22(19-9-11-20(24)12-10-19)27-16-14-26(15-17-27)21-7-4-3-5-8-21/h3-5,7-12,22H,2,6,13-18H2,1H3,(H,25,28)
InChIKeyGQRKQWYCEHKDNS-UHFFFAOYSA-N
XLogP3.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Lorcainide
CID 42884
Fominoben
CID 3407
Benzamide, N-(3-chloro-2-((methyl(2-(4-morpholinyl)-2-oxoethyl)amino)methyl)phenyl)-, monohydrochloride
CID 3015003
2-(2-chlorophenyl)-N-(3-methylphenyl)-2-morpholin-4-ylacetamide
CID 3108210
4-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 471639
3-[(4-chlorophenyl)amino]-1-ethyl-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 24768122
1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methylbutyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one
CID 44433276
2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 953577
N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2535403
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
N-(3,5-dichlorophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 3450156
N~1~-(4-chlorophenyl)-N~2~-{2-[4-(4-methylbenzoyl)-1-piperazinyl]ethyl}ethanediamide
CID 4020692

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 5309735) is 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide is CCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is GQRKQWYCEHKDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O2/c1-2-29-18-6-13-25-23(28)22(19-9-11-20(24)12-10-19)27-16-14-26(15-17-27)21-7-4-3-5-8-21/h3-5,7-12,22H,2,6,13-18H2,1H3,(H,25,28).
What are the key properties of 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide?
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 415.97 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5309735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).