3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide

C15H13ClN2O — CID 895858

IUPAC3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCc1ccncc1
InChIInChI=1S/C15H13ClN2O/c16-14-4-1-12(2-5-14)3-6-15(19)18-11-13-7-9-17-10-8-13/h1-10H,11H2,(H,18,19)
InChIKeyFBVVKTBESJQWSV-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.06
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide

3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide (PubChem CID 895858) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
PubChem CID895858
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NCc1ccncc1
InChIInChI=1S/C15H13ClN2O/c16-14-4-1-12(2-5-14)3-6-15(19)18-11-13-7-9-17-10-8-13/h1-10H,11H2,(H,18,19)
InChIKeyFBVVKTBESJQWSV-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.06
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-chlorophenyl)-N-[[4-[methyl(pyridin-4-yl)amino]phenyl]methyl]prop-2-enamide
CID 154081844
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
(E)-N-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 63529144
(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 84555657
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]prop-2-enamide
CID 76990323
(E)-N-[(4-chlorophenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 25296226
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
(E)-3-(3-bromophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 2458192
3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide
CID 72689438
(E)-N-[(4-chlorophenyl)methyl]-3-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enamide
CID 59122872

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide (CID 895858) is 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)NCc1ccncc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The InChIKey is FBVVKTBESJQWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-14-4-1-12(2-5-14)3-6-15(19)18-11-13-7-9-17-10-8-13/h1-10H,11H2,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide has a molecular weight of 272.74 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 895858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).