N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide

C21H18ClNO3 — CID 1193872

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18ClNO3/c1-25-20-12-9-17(22)13-19(20)23-21(24)14-26-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyWQKWXKGOPGVHLB-UHFFFAOYSA-N
MW367.83 g/mol
LogP5.03
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide (PubChem CID 1193872) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
PubChem CID1193872
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18ClNO3/c1-25-20-12-9-17(22)13-19(20)23-21(24)14-26-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyWQKWXKGOPGVHLB-UHFFFAOYSA-N
XLogP5.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
CID 1189115
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733029
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4531228
N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232
N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126149238
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide
CID 94832882
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-phenylphenoxy)acetamide
CID 95733672

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide (CID 1193872) is N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide is COc1ccc(Cl)cc1NC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide?
The InChIKey is WQKWXKGOPGVHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-25-20-12-9-17(22)13-19(20)23-21(24)14-26-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide has a molecular weight of 367.83 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 1193872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).