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

C19H21Cl2N3O2 — CID 2088438

IUPAC(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H21Cl2N3O2/c1-13(19(26)22-16-12-14(20)6-7-15(16)21)23-8-10-24(11-9-23)17-4-2-3-5-18(17)25/h2-7,12-13,25H,8-11H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyPIWZIGIDGOYHMB-ZDUSSCGKSA-N
MW394.30 g/mol
LogP3.85
Rot. Bonds4

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

(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 2088438) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is (2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID2088438
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C19H21Cl2N3O2/c1-13(19(26)22-16-12-14(20)6-7-15(16)21)23-8-10-24(11-9-23)17-4-2-3-5-18(17)25/h2-7,12-13,25H,8-11H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyPIWZIGIDGOYHMB-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

N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 9444969
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2690459
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 9444967
4-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969657
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide
CID 7986989
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (CID 2088438) is (2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is PIWZIGIDGOYHMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-13(19(26)22-16-12-14(20)6-7-15(16)21)23-8-10-24(11-9-23)17-4-2-3-5-18(17)25/h2-7,12-13,25H,8-11H2,1H3,(H,22,26)/t13-/m0/s1.
What are the key properties of (2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
(2S)-N-(2,5-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 (2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 2088438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).