N-(2,2,2-trichloro-1-formamidoethyl)benzamide

C10H9Cl3N2O2 — CID 134108818

IUPACN-(2,2,2-trichloro-1-formamidoethyl)benzamide
SMILESO=CNC(NC(=O)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9Cl3N2O2/c11-10(12,13)9(14-6-16)15-8(17)7-4-2-1-3-5-7/h1-6,9H,(H,14,16)(H,15,17)
InChIKeyLERQERCAODTRQL-UHFFFAOYSA-N
MW295.55 g/mol
LogP1.86
Rot. Bonds4

About N-(2,2,2-trichloro-1-formamidoethyl)benzamide

N-(2,2,2-trichloro-1-formamidoethyl)benzamide (PubChem CID 134108818) has the molecular formula C10H9Cl3N2O2 and a molecular weight of 295.55 g/mol. Its IUPAC name is N-(2,2,2-trichloro-1-formamidoethyl)benzamide.

Molecular Properties

Compound NameN-(2,2,2-trichloro-1-formamidoethyl)benzamide
PubChem CID134108818
Molecular FormulaC10H9Cl3N2O2
Molecular Weight295.55 g/mol
Exact Mass293.97
IUPAC NameN-(2,2,2-trichloro-1-formamidoethyl)benzamide
SMILESO=CNC(NC(=O)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H9Cl3N2O2/c11-10(12,13)9(14-6-16)15-8(17)7-4-2-1-3-5-7/h1-6,9H,(H,14,16)(H,15,17)
InChIKeyLERQERCAODTRQL-UHFFFAOYSA-N
XLogP1.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide
CID 134118036
3-[(2,2,2-trichloro-1-formamidoethyl)carbamothioylamino]benzoic acid
CID 134099289
N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]formamide
CID 3281860
N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379486
N-[(1S)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379485
N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]benzamide
CID 3841401
N-[2,2,2-trichloro-1-[(6-chloro-3-pyridinyl)amino]ethyl]benzamide
CID 123488159
N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide
CID 4739398
N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359
N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide
CID 59051843
(1S)-1-benzamido-2,2,2-trichloroethanesulfonate
CID 2252685
N-[(1R)-1-(tert-butylamino)-2,2,2-trichloroethyl]-4-methylbenzamide
CID 92846944

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloro-1-formamidoethyl)benzamide?
The IUPAC name of N-(2,2,2-trichloro-1-formamidoethyl)benzamide (CID 134108818) is N-(2,2,2-trichloro-1-formamidoethyl)benzamide.
What is the SMILES notation for N-(2,2,2-trichloro-1-formamidoethyl)benzamide?
The canonical SMILES for N-(2,2,2-trichloro-1-formamidoethyl)benzamide is O=CNC(NC(=O)c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of N-(2,2,2-trichloro-1-formamidoethyl)benzamide?
The InChIKey is LERQERCAODTRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2O2/c11-10(12,13)9(14-6-16)15-8(17)7-4-2-1-3-5-7/h1-6,9H,(H,14,16)(H,15,17).
What are the key properties of N-(2,2,2-trichloro-1-formamidoethyl)benzamide?
N-(2,2,2-trichloro-1-formamidoethyl)benzamide has a molecular weight of 295.55 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trichloro-1-formamidoethyl)benzamide is sourced from PubChem (CID 134108818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).