N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide

C18H20ClNO3 — CID 86857974

IUPACN-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cccc(OC(C)C)c2)c(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-12(2)23-15-6-4-5-13(9-15)10-18(21)20-17-8-7-14(22-3)11-16(17)19/h4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyDVTKWHYGTZQHIB-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.32
Rot. Bonds6

About N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide

N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 86857974) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide
PubChem CID86857974
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cccc(OC(C)C)c2)c(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-12(2)23-15-6-4-5-13(9-15)10-18(21)20-17-8-7-14(22-3)11-16(17)19/h4-9,11-12H,10H2,1-3H3,(H,20,21)
InChIKeyDVTKWHYGTZQHIB-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62909620
N-(5-chloro-2-methylphenyl)-2-(3-methoxyphenyl)acetamide
CID 3576472
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid
CID 43823093
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
N-(2-amino-6-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62085333
N-(4-bromo-2-ethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 80997985
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide (CID 86857974) is N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide is COc1ccc(NC(=O)Cc2cccc(OC(C)C)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is DVTKWHYGTZQHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12(2)23-15-6-4-5-13(9-15)10-18(21)20-17-8-7-14(22-3)11-16(17)19/h4-9,11-12H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide?
N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 333.82 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-2-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 86857974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).