N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide

C19H21Cl2N3O2 — CID 4797002

IUPACN-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H21Cl2N3O2/c1-13(19(26)22-16-11-14(20)10-15(21)12-16)23-6-8-24(9-7-23)17-4-2-3-5-18(17)25/h2-5,10-13,25H,6-9H2,1H3,(H,22,26)
InChIKeyPXMAUVYQLMHODD-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.85
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide

N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 4797002) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID4797002
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H21Cl2N3O2/c1-13(19(26)22-16-11-14(20)10-15(21)12-16)23-6-8-24(9-7-23)17-4-2-3-5-18(17)25/h2-5,10-13,25H,6-9H2,1H3,(H,22,26)
InChIKeyPXMAUVYQLMHODD-UHFFFAOYSA-N
XLogP3.85
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2088438
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
(2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 7940777
(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096596
(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78698744
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46054199
(2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 2570336
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 27159268
(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 42858816

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (CID 4797002) is N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is PXMAUVYQLMHODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-13(19(26)22-16-11-14(20)10-15(21)12-16)23-6-8-24(9-7-23)17-4-2-3-5-18(17)25/h2-5,10-13,25H,6-9H2,1H3,(H,22,26).
What are the key properties of N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 394.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 4797002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).