N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide

C9H5ClF3NO2 — CID 142053542

IUPACN-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide
SMILESO=Cc1cc(NC(=O)C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H5ClF3NO2/c10-7-2-1-6(3-5(7)4-15)14-8(16)9(11,12)13/h1-4H,(H,14,16)
InChIKeyDRYVGNVSNKUWDK-UHFFFAOYSA-N
MW251.59 g/mol
LogP2.65
Rot. Bonds2

About N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide

N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 142053542) has the molecular formula C9H5ClF3NO2 and a molecular weight of 251.59 g/mol. Its IUPAC name is N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide
PubChem CID142053542
Molecular FormulaC9H5ClF3NO2
Molecular Weight251.59 g/mol
Exact Mass251.00
IUPAC NameN-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide
SMILESO=Cc1cc(NC(=O)C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H5ClF3NO2/c10-7-2-1-6(3-5(7)4-15)14-8(16)9(11,12)13/h1-4H,(H,14,16)
InChIKeyDRYVGNVSNKUWDK-UHFFFAOYSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.59
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
methyl 2-chloro-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 118454929
N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 14274634
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334956
N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 19958570
2,5-dichloro-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933296
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
2,4-dichloro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 9203694
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propanamide
CID 62834505
2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide
CID 86632821

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide (CID 142053542) is N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide is O=Cc1cc(NC(=O)C(F)(F)F)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is DRYVGNVSNKUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3NO2/c10-7-2-1-6(3-5(7)4-15)14-8(16)9(11,12)13/h1-4H,(H,14,16).
What are the key properties of N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide?
N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 251.59 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 142053542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).