2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide

C20H24ClN3O2 — CID 100647066

IUPAC2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
SMILESC[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C20H24ClN3O2/c1-15(22-20(26)18-13-17(25)7-8-19(18)21)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13,15,25H,9-12,14H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyHMEIIWIRTHDCLG-HNNXBMFYSA-N
MW373.88 g/mol
LogP2.99
Rot. Bonds5

About 2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide

2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide (PubChem CID 100647066) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
PubChem CID100647066
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
SMILESC[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C20H24ClN3O2/c1-15(22-20(26)18-13-17(25)7-8-19(18)21)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13,15,25H,9-12,14H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyHMEIIWIRTHDCLG-HNNXBMFYSA-N
XLogP2.99
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-hydroxy-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 119035650
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 97019834
1-amino-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 119903462
N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106503155
(2S)-2-methylsulfonyl-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide
CID 95776431
2-methyl-3-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide;trihydrochloride
CID 119903471
1-(4-hydroxy-3-methylbutan-2-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 111506661
N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide
CID 95776434
4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide
CID 119903454
5-hydroxy-2-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 102741535
N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1362793

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide (CID 100647066) is 2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide is C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide?
The InChIKey is HMEIIWIRTHDCLG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-15(22-20(26)18-13-17(25)7-8-19(18)21)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13,15,25H,9-12,14H2,1H3,(H,22,26)/t15-/m0/s1.
What are the key properties of 2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide?
2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide has a molecular weight of 373.88 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 100647066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).