2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide

C18H20ClNO3 — CID 132651656

IUPAC2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(OCC(C)NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3/c1-13(12-23-17-9-7-16(22-2)8-10-17)20-18(21)11-14-3-5-15(19)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyMJBHBYCXXIGEEW-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.47
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide

2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide (PubChem CID 132651656) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
PubChem CID132651656
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(OCC(C)NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3/c1-13(12-23-17-9-7-16(22-2)8-10-17)20-18(21)11-14-3-5-15(19)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyMJBHBYCXXIGEEW-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 100589508
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2-(2-chlorophenyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 100630978
3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 100605076
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132657832
1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 133196943
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
3-(4-methoxyphenyl)-N-[(2R)-1-phenoxypropan-2-yl]propanamide
CID 94625030
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114310520
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390512
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390507

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide (CID 132651656) is 2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide is COc1ccc(OCC(C)NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The InChIKey is MJBHBYCXXIGEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-13(12-23-17-9-7-16(22-2)8-10-17)20-18(21)11-14-3-5-15(19)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide?
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 132651656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).