4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide

C10H9Cl4NO2 — CID 51602914

IUPAC4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](Cl)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H9Cl4NO2/c1-17-7-4-2-6(3-5-7)8(16)15-9(11)10(12,13)14/h2-5,9H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyWPQYXDICFPONOB-SECBINFHSA-N
MW317.00 g/mol
LogP3.36
Rot. Bonds3

About 4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide

4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide (PubChem CID 51602914) has the molecular formula C10H9Cl4NO2 and a molecular weight of 317.00 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide
PubChem CID51602914
Molecular FormulaC10H9Cl4NO2
Molecular Weight317.00 g/mol
Exact Mass314.94
IUPAC Name4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](Cl)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H9Cl4NO2/c1-17-7-4-2-6(3-5-7)8(16)15-9(11)10(12,13)14/h2-5,9H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyWPQYXDICFPONOB-SECBINFHSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.00
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-bromophenoxy)-2,2,2-trichloroethyl]-4-methoxybenzamide
CID 1243183
4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
CID 7024523
butyl-[(1S)-2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl]azanium
CID 7032634
4-methoxy-N-[(1S)-2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide
CID 2252645
4-methoxy-N-[2,2,2-trichloro-1-(4-methylphenyl)sulfonylethyl]benzamide
CID 18560772
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
4-methoxy-N-penta-1,4-dien-3-ylbenzamide
CID 138979446
4-methoxy-N-[(1S)-2,2,2-trichloro-1-(2-phenylethylamino)ethyl]benzamide
CID 1099721
N-(1-chlorobutan-2-yl)-4-methoxybenzamide
CID 114294761
N-(1-cyanoethyl)-4-methoxybenzamide
CID 61119459
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide (CID 51602914) is 4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide is COc1ccc(C(=O)N[C@@H](Cl)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide?
The InChIKey is WPQYXDICFPONOB-SECBINFHSA-N. The full InChI is InChI=1S/C10H9Cl4NO2/c1-17-7-4-2-6(3-5-7)8(16)15-9(11)10(12,13)14/h2-5,9H,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide?
4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide has a molecular weight of 317.00 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide is sourced from PubChem (CID 51602914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).