N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide

C13H16Cl2N2O3 — CID 8604340

IUPACN-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-3-8(2)16-13(19)17-11(18)7-20-10-6-4-5-9(14)12(10)15/h4-6,8H,3,7H2,1-2H3,(H2,16,17,18,19)/t8-/m1/s1
InChIKeyKRDBVGFCPCMJQG-MRVPVSSYSA-N
MW319.19 g/mol
LogP3.00
Rot. Bonds5

About N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide

N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide (PubChem CID 8604340) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide
PubChem CID8604340
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC NameN-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-3-8(2)16-13(19)17-11(18)7-20-10-6-4-5-9(14)12(10)15/h4-6,8H,3,7H2,1-2H3,(H2,16,17,18,19)/t8-/m1/s1
InChIKeyKRDBVGFCPCMJQG-MRVPVSSYSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909817
N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-nitrophenoxy)acetamide
CID 7819293
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate
CID 7775896
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982140
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
CID 7817259
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylphenoxy)acetamide
CID 7868582
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 7787848
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7789096
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-tert-butylphenoxy)acetamide
CID 8009528
2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 7763913
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide?
The IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide (CID 8604340) is N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide?
The canonical SMILES for N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide is CC[C@@H](C)NC(=O)NC(=O)COc1cccc(Cl)c1Cl.
What is the InChIKey of N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide?
The InChIKey is KRDBVGFCPCMJQG-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-3-8(2)16-13(19)17-11(18)7-20-10-6-4-5-9(14)12(10)15/h4-6,8H,3,7H2,1-2H3,(H2,16,17,18,19)/t8-/m1/s1.
What are the key properties of N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide?
N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide has a molecular weight of 319.19 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide is sourced from PubChem (CID 8604340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).