2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide

C19H22ClNO4 — CID 4733171

IUPAC2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCCCCOc1cccc(OCC(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C19H22ClNO4/c1-3-4-10-24-15-6-5-7-16(12-15)25-13-19(22)21-17-11-14(20)8-9-18(17)23-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,22)
InChIKeySBNVRSYWVRMHCT-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.55
Rot. Bonds9

About 2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 4733171) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID4733171
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCCCCOc1cccc(OCC(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C19H22ClNO4/c1-3-4-10-24-15-6-5-7-16(12-15)25-13-19(22)21-17-11-14(20)8-9-18(17)23-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,22)
InChIKeySBNVRSYWVRMHCT-UHFFFAOYSA-N
XLogP4.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733029
N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232
N-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870278
N-(2-methoxyphenyl)-2-(3-pentoxyphenoxy)acetamide
CID 4733241
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
3-butoxy-N-[(5-chloro-2-methoxyphenyl)carbamothioyl]benzamide
CID 2174385
N-(2,4-dichlorophenyl)-2-(3-propoxyphenoxy)acetamide
CID 4733090
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296
(Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium
CID 143012687

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 4733171) is 2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide is CCCCOc1cccc(OCC(=O)Nc2cc(Cl)ccc2OC)c1.
What is the InChIKey of 2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is SBNVRSYWVRMHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-3-4-10-24-15-6-5-7-16(12-15)25-13-19(22)21-17-11-14(20)8-9-18(17)23-2/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 363.84 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 4733171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).