3-(4-chloro-3-phenoxyphenyl)prop-2-enamide

C15H12ClNO2 — CID 175380872

IUPAC3-(4-chloro-3-phenoxyphenyl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc(Cl)c(Oc2ccccc2)c1
InChIInChI=1S/C15H12ClNO2/c16-13-8-6-11(7-9-15(17)18)10-14(13)19-12-4-2-1-3-5-12/h1-10H,(H2,17,18)
InChIKeyNDVKZVMAAJAFGK-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.63
Rot. Bonds4

About 3-(4-chloro-3-phenoxyphenyl)prop-2-enamide

3-(4-chloro-3-phenoxyphenyl)prop-2-enamide (PubChem CID 175380872) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-(4-chloro-3-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chloro-3-phenoxyphenyl)prop-2-enamide
PubChem CID175380872
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-(4-chloro-3-phenoxyphenyl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc(Cl)c(Oc2ccccc2)c1
InChIInChI=1S/C15H12ClNO2/c16-13-8-6-11(7-9-15(17)18)10-14(13)19-12-4-2-1-3-5-12/h1-10H,(H2,17,18)
InChIKeyNDVKZVMAAJAFGK-UHFFFAOYSA-N
XLogP3.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.63
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

3-[4-(2,5-dichlorophenoxy)phenyl]prop-2-enoic acid
CID 22684235
(E)-3-(2-phenoxyphenyl)prop-2-enamide
CID 1490836
2-[5-(3-amino-3-oxoprop-1-enyl)-2-chlorophenyl]acetic acid
CID 169482209
(E)-3-[4-(2-chloro-5-methylphenoxy)phenyl]prop-2-enoic acid
CID 43364461
3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid
CID 172757581
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide
CID 170876770
(E)-3-[3-(2-chlorophenoxy)-4-methylphenyl]prop-2-enoic acid
CID 105407683
methyl (E)-3-(4-fluoro-3-phenoxyphenyl)prop-2-enoate
CID 19849257
(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide
CID 170876865
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
chlorobenzene;(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 143982422

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-phenoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(4-chloro-3-phenoxyphenyl)prop-2-enamide (CID 175380872) is 3-(4-chloro-3-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chloro-3-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-chloro-3-phenoxyphenyl)prop-2-enamide is NC(=O)C=Cc1ccc(Cl)c(Oc2ccccc2)c1.
What is the InChIKey of 3-(4-chloro-3-phenoxyphenyl)prop-2-enamide?
The InChIKey is NDVKZVMAAJAFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-13-8-6-11(7-9-15(17)18)10-14(13)19-12-4-2-1-3-5-12/h1-10H,(H2,17,18).
What are the key properties of 3-(4-chloro-3-phenoxyphenyl)prop-2-enamide?
3-(4-chloro-3-phenoxyphenyl)prop-2-enamide has a molecular weight of 273.72 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 175380872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).