(E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide

C13H17F2N3O — CID 143448569

IUPAC(E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide
SMILESCCN(C)N/C=C/C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C13H17F2N3O/c1-3-18(2)17-7-6-13(19)16-9-10-4-5-11(14)8-12(10)15/h4-8,17H,3,9H2,1-2H3,(H,16,19)/b7-6+
InChIKeyOGYFZWOIJKSAAR-VOTSOKGWSA-N
MW269.30 g/mol
LogP1.55
Rot. Bonds6

About (E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide

(E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide (PubChem CID 143448569) has the molecular formula C13H17F2N3O and a molecular weight of 269.30 g/mol. Its IUPAC name is (E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide
PubChem CID143448569
Molecular FormulaC13H17F2N3O
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide
SMILESCCN(C)N/C=C/C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C13H17F2N3O/c1-3-18(2)17-7-6-13(19)16-9-10-4-5-11(14)8-12(10)15/h4-8,17H,3,9H2,1-2H3,(H,16,19)/b7-6+
InChIKeyOGYFZWOIJKSAAR-VOTSOKGWSA-N
XLogP1.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115598131
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
3-[(2,4-difluorophenyl)methylcarbamoyl-ethylamino]propanoic acid
CID 62227208
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
1-cyano-N-[(2,4-difluorophenyl)methyl]formamide
CID 115172177
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
3-[(2,4-difluorophenyl)methylcarbamoylamino]butanoic acid
CID 62228725
2-chloro-N-[(2,4-difluorophenyl)methyl]decanamide
CID 91576928
2-chloro-N-[(2,4-difluorophenyl)methyl]undecanamide
CID 91233832
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide (CID 143448569) is (E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide is CCN(C)N/C=C/C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of (E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide?
The InChIKey is OGYFZWOIJKSAAR-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-3-18(2)17-7-6-13(19)16-9-10-4-5-11(14)8-12(10)15/h4-8,17H,3,9H2,1-2H3,(H,16,19)/b7-6+.
What are the key properties of (E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide?
(E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide has a molecular weight of 269.30 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,4-difluorophenyl)methyl]-3-(2-ethyl-2-methylhydrazinyl)prop-2-enamide is sourced from PubChem (CID 143448569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).