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

C19H21Cl2N3O2 — CID 2096596

IUPAC(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(O)cc2)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)17-2-4-18(25)5-3-17/h2-5,10-13,25H,6-9H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyXOGMMJOMCSIGGW-ZDUSSCGKSA-N
MW394.30 g/mol
LogP3.85
Rot. Bonds4

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

(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 2096596) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is (2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID2096596
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(O)cc2)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)17-2-4-18(25)5-3-17/h2-5,10-13,25H,6-9H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyXOGMMJOMCSIGGW-ZDUSSCGKSA-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

(2R)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 2570336
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
N-(2-chlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630893
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 41038243
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096677
N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466
N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630982
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9276911

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (CID 2096596) is (2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of (2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is XOGMMJOMCSIGGW-ZDUSSCGKSA-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)17-2-4-18(25)5-3-17/h2-5,10-13,25H,6-9H2,1H3,(H,22,26)/t13-/m0/s1.
What are the key properties of (2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-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 (2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 2096596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).