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

C19H22Cl2N3O2+ — CID 7940777

IUPAC(2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCN(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)/p+1/t13-/m1/s1
InChIKeyPXMAUVYQLMHODD-CYBMUJFWSA-O
MW395.31 g/mol
LogP2.43
Rot. Bonds4

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

(2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide (PubChem CID 7940777) has the molecular formula C19H22Cl2N3O2+ and a molecular weight of 395.31 g/mol. Its IUPAC name is (2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
PubChem CID7940777
Molecular FormulaC19H22Cl2N3O2+
Molecular Weight395.31 g/mol
Exact Mass394.11
IUPAC Name(2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCN(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)/p+1/t13-/m1/s1
InChIKeyPXMAUVYQLMHODD-CYBMUJFWSA-O
XLogP2.43
TPSA57.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 2454279
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
(2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 2508308
(2S)-N-(2,5-difluorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9432663
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
CID 2562903
(2S)-N-(2,4-difluorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9432656
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9432818
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 8528578
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 2448804
(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 2575256
(2S)-N-(2,4-dichlorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide
CID 8726397
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 9445040

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide (CID 7940777) is (2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide is C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCN(c2ccccc2O)CC1.
What is the InChIKey of (2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The InChIKey is PXMAUVYQLMHODD-CYBMUJFWSA-O. 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)/p+1/t13-/m1/s1.
What are the key properties of (2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
(2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide has a molecular weight of 395.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 7940777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).