N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide

C10H9ClF2N2O — CID 154807613

IUPACN-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide
SMILESCC(=NNC(=O)C(F)F)c1cccc(Cl)c1
InChIInChI=1S/C10H9ClF2N2O/c1-6(14-15-10(16)9(12)13)7-3-2-4-8(11)5-7/h2-5,9H,1H3,(H,15,16)
InChIKeyDWMYJVAVYULGKX-UHFFFAOYSA-N
MW246.64 g/mol
LogP2.45
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide

N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide (PubChem CID 154807613) has the molecular formula C10H9ClF2N2O and a molecular weight of 246.64 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide
PubChem CID154807613
Molecular FormulaC10H9ClF2N2O
Molecular Weight246.64 g/mol
Exact Mass246.04
IUPAC NameN-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide
SMILESCC(=NNC(=O)C(F)F)c1cccc(Cl)c1
InChIInChI=1S/C10H9ClF2N2O/c1-6(14-15-10(16)9(12)13)7-3-2-4-8(11)5-7/h2-5,9H,1H3,(H,15,16)
InChIKeyDWMYJVAVYULGKX-UHFFFAOYSA-N
XLogP2.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.64
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
2-(3-chloroanilino)-N-[1-(4-methylphenyl)ethylideneamino]propanamide
CID 4654925
2-(benzenesulfonamido)-N-[(Z)-1-(3-chlorophenyl)ethylideneamino]acetamide
CID 9236360
3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 5218597
N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
CID 4249349
N-[1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4527145
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
N-[(E)-1-(3-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 18205959

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide (CID 154807613) is N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide is CC(=NNC(=O)C(F)F)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide?
The InChIKey is DWMYJVAVYULGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N2O/c1-6(14-15-10(16)9(12)13)7-3-2-4-8(11)5-7/h2-5,9H,1H3,(H,15,16).
What are the key properties of N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide?
N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide has a molecular weight of 246.64 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide is sourced from PubChem (CID 154807613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).