N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide

C13H15Cl2NO3 — CID 43516026

IUPACN-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C13H15Cl2NO3/c1-3-8(2)16-12(18)7-19-13-9(6-17)4-10(14)5-11(13)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyVDQMGRCVRXIKAJ-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.10
Rot. Bonds6

About N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide

N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide (PubChem CID 43516026) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide
PubChem CID43516026
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC NameN-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C13H15Cl2NO3/c1-3-8(2)16-12(18)7-19-13-9(6-17)4-10(14)5-11(13)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyVDQMGRCVRXIKAJ-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-formyl-6-methylphenoxy)-N-butan-2-ylacetamide
CID 112620746
3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 55098579
2-(2,4-dichloro-6-formylphenoxy)-N-(2,6-diethylphenyl)acetamide
CID 28913352
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957
4-[2-(butan-2-ylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
CID 43114925
tert-butyl 2-(2,4-dichloro-6-formylphenoxy)acetate
CID 18353685
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519
3,5-dichloro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 43516130
3,5-dichloro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzaldehyde
CID 43516008
3,5-dichloro-2-(3-methylbutoxy)benzaldehyde
CID 43515922
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
2-propan-2-ylsulfanyl-2-[[2-(2,4,6-trichlorophenoxy)acetyl]amino]acetic acid
CID 54145321

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide (CID 43516026) is N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide is CCC(C)NC(=O)COc1c(Cl)cc(Cl)cc1C=O.
What is the InChIKey of N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide?
The InChIKey is VDQMGRCVRXIKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-3-8(2)16-12(18)7-19-13-9(6-17)4-10(14)5-11(13)15/h4-6,8H,3,7H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide?
N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide has a molecular weight of 304.17 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide is sourced from PubChem (CID 43516026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).