N-benzhydryl-2,2,2-trichloroacetamide

C15H12Cl3NO — CID 3685786

IUPACN-benzhydryl-2,2,2-trichloroacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H12Cl3NO/c16-15(17,18)14(20)19-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,19,20)
InChIKeyMODKQCKGEXNUNZ-UHFFFAOYSA-N
MW328.63 g/mol
LogP4.26
Rot. Bonds3

About N-benzhydryl-2,2,2-trichloroacetamide

N-benzhydryl-2,2,2-trichloroacetamide (PubChem CID 3685786) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is N-benzhydryl-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-benzhydryl-2,2,2-trichloroacetamide
PubChem CID3685786
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC NameN-benzhydryl-2,2,2-trichloroacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C15H12Cl3NO/c16-15(17,18)14(20)19-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,19,20)
InChIKeyMODKQCKGEXNUNZ-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-N-benzhydryl-2-chloropropanamide
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2-(benzhydrylcarbamoylamino)acetic acid
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2,2,2-trichloro-N-(1-hydroxy-1,2,2-triphenylethyl)acetamide
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2,2,2-trichloro-N-(2-diazo-4,4-dimethyl-3-oxo-1-phenylpentyl)acetamide
CID 73123566
3-benzhydryl-1,1-dimethylurea
CID 2228466
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
2-[bis[2-(benzhydrylamino)-2-oxoethyl]amino]acetic acid
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CID 4252554

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,2,2-trichloroacetamide?
The IUPAC name of N-benzhydryl-2,2,2-trichloroacetamide (CID 3685786) is N-benzhydryl-2,2,2-trichloroacetamide.
What is the SMILES notation for N-benzhydryl-2,2,2-trichloroacetamide?
The canonical SMILES for N-benzhydryl-2,2,2-trichloroacetamide is O=C(NC(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of N-benzhydryl-2,2,2-trichloroacetamide?
The InChIKey is MODKQCKGEXNUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c16-15(17,18)14(20)19-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,19,20).
What are the key properties of N-benzhydryl-2,2,2-trichloroacetamide?
N-benzhydryl-2,2,2-trichloroacetamide has a molecular weight of 328.63 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,2,2-trichloroacetamide is sourced from PubChem (CID 3685786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).