2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

C9H7Cl4NO2 — CID 3574843

IUPAC2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
SMILESO=C(NC(O)C(Cl)(Cl)Cl)c1ccccc1Cl
InChIInChI=1S/C9H7Cl4NO2/c10-6-4-2-1-3-5(6)7(15)14-8(16)9(11,12)13/h1-4,8,16H,(H,14,15)
InChIKeySWJIKSUFWGEOBV-UHFFFAOYSA-N
MW302.97 g/mol
LogP2.76
Rot. Bonds2

About 2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide (PubChem CID 3574843) has the molecular formula C9H7Cl4NO2 and a molecular weight of 302.97 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
PubChem CID3574843
Molecular FormulaC9H7Cl4NO2
Molecular Weight302.97 g/mol
Exact Mass300.92
IUPAC Name2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
SMILESO=C(NC(O)C(Cl)(Cl)Cl)c1ccccc1Cl
InChIInChI=1S/C9H7Cl4NO2/c10-6-4-2-1-3-5(6)7(15)14-8(16)9(11,12)13/h1-4,8,16H,(H,14,15)
InChIKeySWJIKSUFWGEOBV-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.97
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(2,2,2-trichloro-1-hydroxyethyl)carbamoyl]phenyl] acetate
CID 12922486
2-[(2-chlorobenzoyl)amino]propanediamide
CID 31062751
1-(2-chlorophenyl)-3-[(1S)-2,2,2-trichloro-1-hydroxyethyl]urea
CID 163171091
2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
CID 4117708
diethyl-[(1S)-2,2,2-trichloro-1-[(2-chlorobenzoyl)amino]ethyl]azanium
CID 2304908
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide
CID 794769
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide?
The IUPAC name of 2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide (CID 3574843) is 2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide is O=C(NC(O)C(Cl)(Cl)Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide?
The InChIKey is SWJIKSUFWGEOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl4NO2/c10-6-4-2-1-3-5(6)7(15)14-8(16)9(11,12)13/h1-4,8,16H,(H,14,15).
What are the key properties of 2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide?
2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide has a molecular weight of 302.97 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide is sourced from PubChem (CID 3574843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).