2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide

C10H9BrCl3NO3 — CID 42280281

IUPAC2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide
SMILESO=C(COc1cccc(Br)c1)N[C@H](O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9BrCl3NO3/c11-6-2-1-3-7(4-6)18-5-8(16)15-9(17)10(12,13)14/h1-4,9,17H,5H2,(H,15,16)/t9-/m1/s1
InChIKeyYHFMCHDGGUQNDO-SECBINFHSA-N
MW377.45 g/mol
LogP2.63
Rot. Bonds4

About 2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide

2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide (PubChem CID 42280281) has the molecular formula C10H9BrCl3NO3 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide
PubChem CID42280281
Molecular FormulaC10H9BrCl3NO3
Molecular Weight377.45 g/mol
Exact Mass374.88
IUPAC Name2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide
SMILESO=C(COc1cccc(Br)c1)N[C@H](O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9BrCl3NO3/c11-6-2-1-3-7(4-6)18-5-8(16)15-9(17)10(12,13)14/h1-4,9,17H,5H2,(H,15,16)/t9-/m1/s1
InChIKeyYHFMCHDGGUQNDO-SECBINFHSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2R)-2-[[2-(3-bromophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103926914
2-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid
CID 43387178
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
2-[[2-(3-bromophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 61243301
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 3530351
2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103940873
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
2-(3-bromophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480350
N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119616000
2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959
2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782426
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide
CID 78773270

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide (CID 42280281) is 2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide is O=C(COc1cccc(Br)c1)N[C@H](O)C(Cl)(Cl)Cl.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide?
The InChIKey is YHFMCHDGGUQNDO-SECBINFHSA-N. The full InChI is InChI=1S/C10H9BrCl3NO3/c11-6-2-1-3-7(4-6)18-5-8(16)15-9(17)10(12,13)14/h1-4,9,17H,5H2,(H,15,16)/t9-/m1/s1.
What are the key properties of 2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide?
2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide is sourced from PubChem (CID 42280281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).