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

C17H16Cl3NO3 — CID 1105213

IUPAC2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(O[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C17H16Cl3NO3/c1-23-13-7-9-14(10-8-13)24-16(17(18,19)20)21-15(22)11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyAMCBCHMJFSDKIL-MRXNPFEDSA-N
MW388.68 g/mol
LogP4.13
Rot. Bonds6

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

2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 1105213) has the molecular formula C17H16Cl3NO3 and a molecular weight of 388.68 g/mol. Its IUPAC name is 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID1105213
Molecular FormulaC17H16Cl3NO3
Molecular Weight388.68 g/mol
Exact Mass387.02
IUPAC Name2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(O[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C17H16Cl3NO3/c1-23-13-7-9-14(10-8-13)24-16(17(18,19)20)21-15(22)11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyAMCBCHMJFSDKIL-MRXNPFEDSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.68
LogP ≤ 54.13
H-Bond Donors ≤ 51
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

1-phenyl-3-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]urea
CID 1381271
1,3-bis(2,2,2-trichloro-1-phenoxyethyl)urea
CID 2834303
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
benzyl N-[(1S)-2,2,2-trichloro-1-phenoxyethyl]carbamate
CID 1101103
N-[(1S)-2,2,2-trichloro-1-phenoxyethyl]heptanamide
CID 7038293
N-[(1R)-1-(4-bromophenoxy)-2,2,2-trichloroethyl]-4-methoxybenzamide
CID 1243183
N-(2,2,2-trichloro-1-phenoxyethyl)octanamide
CID 3118267
3-methyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]butanamide
CID 2831117
N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
CID 114300105
N-[2,2,2-trichloro-1-[4-[(Z)-C-phenylcarbonohydrazonoyl]phenoxy]ethyl]propanamide
CID 20845195
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide (CID 1105213) is 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide is COc1ccc(O[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is AMCBCHMJFSDKIL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16Cl3NO3/c1-23-13-7-9-14(10-8-13)24-16(17(18,19)20)21-15(22)11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide?
2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide has a molecular weight of 388.68 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 1105213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).