N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide

C13H16Cl2N2O2 — CID 46741808

IUPACN-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=C(CCl)CCl)cc1C
InChIInChI=1S/C13H16Cl2N2O2/c1-9-3-4-12(5-10(9)2)19-8-13(18)17-16-11(6-14)7-15/h3-5H,6-8H2,1-2H3,(H,17,18)
InChIKeyIZHXNAHXBIEIBB-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.63
Rot. Bonds6

About N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide

N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 46741808) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide
PubChem CID46741808
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=C(CCl)CCl)cc1C
InChIInChI=1S/C13H16Cl2N2O2/c1-9-3-4-12(5-10(9)2)19-8-13(18)17-16-11(6-14)7-15/h3-5H,6-8H2,1-2H3,(H,17,18)
InChIKeyIZHXNAHXBIEIBB-UHFFFAOYSA-N
XLogP2.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 46741812
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135569434
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255
ethyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]butanoate
CID 4659321
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 3097034
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide (CID 46741808) is N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NN=C(CCl)CCl)cc1C.
What is the InChIKey of N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is IZHXNAHXBIEIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-9-3-4-12(5-10(9)2)19-8-13(18)17-16-11(6-14)7-15/h3-5H,6-8H2,1-2H3,(H,17,18).
What are the key properties of N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide?
N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 303.19 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 46741808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).