N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide

C15H11Cl2NO2 — CID 69127655

IUPACN-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide
SMILESO=C(C=COc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO2/c16-13-7-6-11(10-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-10H,(H,18,19)
InChIKeyYOGHXQWTMDLJAJ-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.52
Rot. Bonds4

About N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide

N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide (PubChem CID 69127655) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide
PubChem CID69127655
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC NameN-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide
SMILESO=C(C=COc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO2/c16-13-7-6-11(10-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-10H,(H,18,19)
InChIKeyYOGHXQWTMDLJAJ-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-3-phenoxyprop-2-enamide
CID 69127158
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
4-(3,4-dichloroanilino)-4-oxobut-2-enoate
CID 4065684
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-N-(3,4-dichlorophenyl)hex-2-enamide
CID 134122925
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 6105621
3-chloro-N-(3,4-dichlorophenyl)but-2-enamide
CID 54340500
4-(but-2-enoylamino)-2-chlorobenzoic acid
CID 61398495
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide (CID 69127655) is N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide is O=C(C=COc1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide?
The InChIKey is YOGHXQWTMDLJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-13-7-6-11(10-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-10H,(H,18,19).
What are the key properties of N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide?
N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide has a molecular weight of 308.16 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-phenoxyprop-2-enamide is sourced from PubChem (CID 69127655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).