2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide

C15H18Cl4N2O4 — CID 18890069

IUPAC2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1OC(C)C
InChIInChI=1S/C15H18Cl4N2O4/c1-7(2)25-10-6-8(4-5-9(10)24-3)13(20-14(22)11(16)17)21-15(23)12(18)19/h4-7,11-13H,1-3H3,(H,20,22)(H,21,23)
InChIKeyMDVPRPBLGIZWLS-UHFFFAOYSA-N
MW432.13 g/mol
LogP3.32
Rot. Bonds8

About 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide

2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 18890069) has the molecular formula C15H18Cl4N2O4 and a molecular weight of 432.13 g/mol. Its IUPAC name is 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID18890069
Molecular FormulaC15H18Cl4N2O4
Molecular Weight432.13 g/mol
Exact Mass430.00
IUPAC Name2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1OC(C)C
InChIInChI=1S/C15H18Cl4N2O4/c1-7(2)25-10-6-8(4-5-9(10)24-3)13(20-14(22)11(16)17)21-15(23)12(18)19/h4-7,11-13H,1-3H3,(H,20,22)(H,21,23)
InChIKeyMDVPRPBLGIZWLS-UHFFFAOYSA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.13
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 5153648
2-iodo-N-[[(2-iodoacetyl)amino]-(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 5153649
N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide
CID 18890052
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
CID 18890057
N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 5120159
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
CID 119721222
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119721211
N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 18889979
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
2,2-dichloro-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanol
CID 164892730
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide (CID 18890069) is 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide is COc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1OC(C)C.
What is the InChIKey of 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is MDVPRPBLGIZWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl4N2O4/c1-7(2)25-10-6-8(4-5-9(10)24-3)13(20-14(22)11(16)17)21-15(23)12(18)19/h4-7,11-13H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide?
2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 432.13 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 18890069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).