2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide

C14H19ClN2O3 — CID 113158224

IUPAC2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C(C)=O)C(C)C
InChIInChI=1S/C14H19ClN2O3/c1-9(2)17(10(3)18)8-14(19)16-12-7-11(15)5-6-13(12)20-4/h5-7,9H,8H2,1-4H3,(H,16,19)
InChIKeyAWRRSNLNPTVQEM-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.54
Rot. Bonds5

About 2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 113158224) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID113158224
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C(C)=O)C(C)C
InChIInChI=1S/C14H19ClN2O3/c1-9(2)17(10(3)18)8-14(19)16-12-7-11(15)5-6-13(12)20-4/h5-7,9H,8H2,1-4H3,(H,16,19)
InChIKeyAWRRSNLNPTVQEM-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 26941979
2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8794021
N-(5-chloro-2-methoxyphenyl)-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide
CID 46512444
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-fluorophenyl)propanamide
CID 51167338
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113116035
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113165494
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049502
methyl (2S,3S)-2-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-3-methylpentanoate
CID 8794057

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 113158224) is 2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C(C)=O)C(C)C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is AWRRSNLNPTVQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(2)17(10(3)18)8-14(19)16-12-7-11(15)5-6-13(12)20-4/h5-7,9H,8H2,1-4H3,(H,16,19).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 298.77 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 113158224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).