N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide

C10H7ClF5NO — CID 103733439

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C(F)(F)C(F)F
InChIInChI=1S/C10H7ClF5NO/c11-6-3-5(1-2-7(6)12)4-17-9(18)10(15,16)8(13)14/h1-3,8H,4H2,(H,17,18)
InChIKeyOWGHTVMYQXGITM-UHFFFAOYSA-N
MW287.62 g/mol
LogP3.00
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide

N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733439) has the molecular formula C10H7ClF5NO and a molecular weight of 287.62 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103733439
Molecular FormulaC10H7ClF5NO
Molecular Weight287.62 g/mol
Exact Mass287.01
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C(F)(F)C(F)F
InChIInChI=1S/C10H7ClF5NO/c11-6-3-5(1-2-7(6)12)4-17-9(18)10(15,16)8(13)14/h1-3,8H,4H2,(H,17,18)
InChIKeyOWGHTVMYQXGITM-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.62
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3-trimethylbutanamide
CID 65266643
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 81489065
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide
CID 103731962
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 62539285
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858
N'-[(3-chloro-4-fluorophenyl)methyl]oxamide
CID 115191859
N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide
CID 115166258
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutanamide
CID 80545171
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylpropanamide
CID 62538120
N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529399
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride
CID 119280875

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide (CID 103733439) is N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide is O=C(NCc1ccc(F)c(Cl)c1)C(F)(F)C(F)F.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is OWGHTVMYQXGITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF5NO/c11-6-3-5(1-2-7(6)12)4-17-9(18)10(15,16)8(13)14/h1-3,8H,4H2,(H,17,18).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 287.62 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).