N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide

C11H10Cl3NO3 — CID 34317073

IUPACN-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide
SMILESCC(=O)N[C@H](Oc1ccc(C=O)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H10Cl3NO3/c1-7(17)15-10(11(12,13)14)18-9-4-2-8(6-16)3-5-9/h2-6,10H,1H3,(H,15,17)/t10-/m1/s1
InChIKeyUXYIKMWQEBMLDU-SNVBAGLBSA-N
MW310.56 g/mol
LogP2.71
Rot. Bonds4

About N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide

N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide (PubChem CID 34317073) has the molecular formula C11H10Cl3NO3 and a molecular weight of 310.56 g/mol. Its IUPAC name is N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide
PubChem CID34317073
Molecular FormulaC11H10Cl3NO3
Molecular Weight310.56 g/mol
Exact Mass308.97
IUPAC NameN-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide
SMILESCC(=O)N[C@H](Oc1ccc(C=O)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H10Cl3NO3/c1-7(17)15-10(11(12,13)14)18-9-4-2-8(6-16)3-5-9/h2-6,10H,1H3,(H,15,17)/t10-/m1/s1
InChIKeyUXYIKMWQEBMLDU-SNVBAGLBSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.56
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide with MolForge

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Related Compounds

3-[(5Z)-5-[[4-[(1R)-1-acetamido-2,2,2-trichloroethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 26479549
1,3-bis(2,2,2-trichloro-1-phenoxyethyl)urea
CID 2834303
(E)-N-[1-(4-acetylphenoxy)-2,2,2-trichloroethyl]-3-phenylprop-2-enamide
CID 6022443
(E)-N-[(1S)-1-(4-acetylphenoxy)-2,2,2-trichloroethyl]-3-phenylprop-2-enamide
CID 1181943
N-tert-butyl-2-(4-formylphenoxy)propanamide
CID 43086480
N-butan-2-yl-2-(4-formylphenoxy)propanamide
CID 43117148
N-[2,2,2-trichloro-1-[4-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]ethyl]acetamide
CID 21178634
2-(4-formylphenoxy)-3,3-dimethylbutanoic acid
CID 87176317
2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide
CID 1105213
3-methyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]butanamide
CID 2831117
N-[(1R)-1-(4-acetylphenoxy)-2,2,2-trichloroethyl]-2-methylbenzamide
CID 1203286
1-phenyl-3-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]urea
CID 1381271

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide?
The IUPAC name of N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide (CID 34317073) is N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide.
What is the SMILES notation for N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide?
The canonical SMILES for N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide is CC(=O)N[C@H](Oc1ccc(C=O)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide?
The InChIKey is UXYIKMWQEBMLDU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10Cl3NO3/c1-7(17)15-10(11(12,13)14)18-9-4-2-8(6-16)3-5-9/h2-6,10H,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide?
N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide has a molecular weight of 310.56 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2,2-trichloro-1-(4-formylphenoxy)ethyl]acetamide is sourced from PubChem (CID 34317073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).