N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide

C16H12Cl2FNO2 — CID 167449588

IUPACN-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C16H12Cl2FNO2/c1-2-16(21)20-12-4-6-15(14(19)8-12)22-9-10-7-11(17)3-5-13(10)18/h2-8H,1,9H2,(H,20,21)
InChIKeySCODXEDVODDVIX-UHFFFAOYSA-N
MW340.18 g/mol
LogP4.84
Rot. Bonds5

About N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide

N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide (PubChem CID 167449588) has the molecular formula C16H12Cl2FNO2 and a molecular weight of 340.18 g/mol. Its IUPAC name is N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide
PubChem CID167449588
Molecular FormulaC16H12Cl2FNO2
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC NameN-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C16H12Cl2FNO2/c1-2-16(21)20-12-4-6-15(14(19)8-12)22-9-10-7-11(17)3-5-13(10)18/h2-8H,1,9H2,(H,20,21)
InChIKeySCODXEDVODDVIX-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-chloro-3-pyridinyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449544
N-[4-[(2-chloro-4-cyanophenyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449801
N-[4-[(2-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449635
N-[3-fluoro-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]prop-2-enamide
CID 167449682
N-[4-[(6-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449731
N-[4-[(3-ethynylphenyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449764
N-[4-[(2-chloro-3-fluorophenyl)methoxy]-3-cyanophenyl]prop-2-enamide
CID 167449537
1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene
CID 107691124
N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
CID 167449680
N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 175055653
N-[3-(2,5-dichloropyrimidin-4-yl)oxy-4-fluorophenyl]prop-2-enamide
CID 163280499
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide?
The IUPAC name of N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide (CID 167449588) is N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide?
The canonical SMILES for N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide is C=CC(=O)Nc1ccc(OCc2cc(Cl)ccc2Cl)c(F)c1.
What is the InChIKey of N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide?
The InChIKey is SCODXEDVODDVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO2/c1-2-16(21)20-12-4-6-15(14(19)8-12)22-9-10-7-11(17)3-5-13(10)18/h2-8H,1,9H2,(H,20,21).
What are the key properties of N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide?
N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide has a molecular weight of 340.18 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide is sourced from PubChem (CID 167449588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).