N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide

C20H23Cl2N3O — CID 25168966

IUPACN-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide
SMILESO=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3O/c21-16-8-9-19(18(22)15-16)23-20(26)7-4-10-24-11-13-25(14-12-24)17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,23,26)
InChIKeyYIDSTCHPVRDJTD-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.53
Rot. Bonds6

About N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide

N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide (PubChem CID 25168966) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide
PubChem CID25168966
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC NameN-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide
SMILESO=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3O/c21-16-8-9-19(18(22)15-16)23-20(26)7-4-10-24-11-13-25(14-12-24)17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,23,26)
InChIKeyYIDSTCHPVRDJTD-UHFFFAOYSA-N
XLogP4.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide (CID 25168966) is N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide is O=C(CCCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide?
The InChIKey is YIDSTCHPVRDJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c21-16-8-9-19(18(22)15-16)23-20(26)7-4-10-24-11-13-25(14-12-24)17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,23,26).
What are the key properties of N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide?
N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide has a molecular weight of 392.33 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide is sourced from PubChem (CID 25168966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).