2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide

C21H25ClN2O2 — CID 91832085

IUPAC2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(O)c(Cl)c1)NCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-19-14-16(6-7-20(19)25)15-21(26)23-10-13-24-11-8-18(9-12-24)17-4-2-1-3-5-17/h1-7,14,18,25H,8-13,15H2,(H,23,26)
InChIKeyYMJPOJRURCXHTQ-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.58
Rot. Bonds6

About 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide

2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide (PubChem CID 91832085) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
PubChem CID91832085
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(O)c(Cl)c1)NCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-19-14-16(6-7-20(19)25)15-21(26)23-10-13-24-11-8-18(9-12-24)17-4-2-1-3-5-17/h1-7,14,18,25H,8-13,15H2,(H,23,26)
InChIKeyYMJPOJRURCXHTQ-UHFFFAOYSA-N
XLogP3.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 39302925
2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
CID 118762611
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
[1-[9-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 44595573
(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
CID 125157377
3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide
CID 74248989
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 91829247
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
1-(3,4-dichlorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]urea
CID 110173334
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide (CID 91832085) is 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide is O=C(Cc1ccc(O)c(Cl)c1)NCCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is YMJPOJRURCXHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-19-14-16(6-7-20(19)25)15-21(26)23-10-13-24-11-8-18(9-12-24)17-4-2-1-3-5-17/h1-7,14,18,25H,8-13,15H2,(H,23,26).
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide?
2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 372.90 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 91832085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).