2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide

C18H20ClNO3 — CID 110904498

IUPAC2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
SMILESCc1cccc(OCC(O)CNC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO3/c1-13-3-2-4-17(9-13)23-12-16(21)11-20-18(22)10-14-5-7-15(19)8-6-14/h2-9,16,21H,10-12H2,1H3,(H,20,22)
InChIKeyMQQKXKDHXXCAEI-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.75
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide

2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide (PubChem CID 110904498) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
PubChem CID110904498
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
SMILESCc1cccc(OCC(O)CNC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClNO3/c1-13-3-2-4-17(9-13)23-12-16(21)11-20-18(22)10-14-5-7-15(19)8-6-14/h2-9,16,21H,10-12H2,1H3,(H,20,22)
InChIKeyMQQKXKDHXXCAEI-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(4-chlorophenyl)acetamide
CID 52505208
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110911248
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
CID 110904510
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677837
1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide
CID 111830233
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide (CID 110904498) is 2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide is Cc1cccc(OCC(O)CNC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide?
The InChIKey is MQQKXKDHXXCAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-13-3-2-4-17(9-13)23-12-16(21)11-20-18(22)10-14-5-7-15(19)8-6-14/h2-9,16,21H,10-12H2,1H3,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide?
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 110904498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).