2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide

C14H19ClN2O3 — CID 9299910

IUPAC2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C14H19ClN2O3/c1-9(2)17-13(18)7-16-14(19)8-20-12-5-4-11(15)6-10(12)3/h4-6,9H,7-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCCGYTKLEBICLPG-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.67
Rot. Bonds6

About 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide

2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 9299910) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
PubChem CID9299910
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCC(=O)NC(C)C
InChIInChI=1S/C14H19ClN2O3/c1-9(2)17-13(18)7-16-14(19)8-20-12-5-4-11(15)6-10(12)3/h4-6,9H,7-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCCGYTKLEBICLPG-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 7936907
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16548228
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2527865
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43404158
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 113236436

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide (CID 9299910) is 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide is Cc1cc(Cl)ccc1OCC(=O)NCC(=O)NC(C)C.
What is the InChIKey of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is CCGYTKLEBICLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(2)17-13(18)7-16-14(19)8-20-12-5-4-11(15)6-10(12)3/h4-6,9H,7-8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 298.77 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9299910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).