2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide

C17H18ClNO4 — CID 18198727

IUPAC2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO4/c1-21-14-7-8-15(17(19)20)16(11-14)23-10-2-9-22-13-5-3-12(18)4-6-13/h3-8,11H,2,9-10H2,1H3,(H2,19,20)
InChIKeyOHLOQSNSNILECW-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.30
Rot. Bonds8

About 2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide

2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide (PubChem CID 18198727) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide
PubChem CID18198727
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO4/c1-21-14-7-8-15(17(19)20)16(11-14)23-10-2-9-22-13-5-3-12(18)4-6-13/h3-8,11H,2,9-10H2,1H3,(H2,19,20)
InChIKeyOHLOQSNSNILECW-UHFFFAOYSA-N
XLogP3.30
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.30
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

2-[2-(4-chlorophenoxy)ethoxy]-4-methoxybenzenecarbothioamide
CID 20990454
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 141052915
(2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate
CID 18272979
4-chloro-2-[2-(methylamino)ethoxy]benzamide
CID 63082636
4-chloro-2-methoxybenzamide
CID 19741766
4-methoxy-2-[2-(4-methylphenoxy)ethoxy]benzenecarbothioamide
CID 22685383
4-chloro-2-ethoxybenzamide
CID 126998915
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzenecarbothioamide
CID 22680268
3-[2-(4-chlorophenoxy)ethoxy]-4-methoxybenzoic acid
CID 20988525
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide?
The IUPAC name of 2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide (CID 18198727) is 2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide?
The InChIKey is OHLOQSNSNILECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-21-14-7-8-15(17(19)20)16(11-14)23-10-2-9-22-13-5-3-12(18)4-6-13/h3-8,11H,2,9-10H2,1H3,(H2,19,20).
What are the key properties of 2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide?
2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide has a molecular weight of 335.79 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide is sourced from PubChem (CID 18198727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).