2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide

C19H22ClNO3 — CID 53289071

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)C(CC)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C19H22ClNO3/c1-4-17(24-14-10-11-15(20)13(3)12-14)19(22)21-16-8-6-7-9-18(16)23-5-2/h6-12,17H,4-5H2,1-3H3,(H,21,22)
InChIKeyABWPJEQCILBKQR-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.84
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide

2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide (PubChem CID 53289071) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
PubChem CID53289071
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)C(CC)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C19H22ClNO3/c1-4-17(24-14-10-11-15(20)13(3)12-14)19(22)21-16-8-6-7-9-18(16)23-5-2/h6-12,17H,4-5H2,1-3H3,(H,21,22)
InChIKeyABWPJEQCILBKQR-UHFFFAOYSA-N
XLogP4.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 132653122
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
CID 53288921
2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
CID 132654221
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132654423
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide (CID 53289071) is 2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide is CCOc1ccccc1NC(=O)C(CC)Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide?
The InChIKey is ABWPJEQCILBKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-17(24-14-10-11-15(20)13(3)12-14)19(22)21-16-8-6-7-9-18(16)23-5-2/h6-12,17H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide?
2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide has a molecular weight of 347.84 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide is sourced from PubChem (CID 53289071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).