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

C15H13ClN2O — CID 166407045

IUPACN-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O/c1-2-15(19)18(11-13-5-3-4-10-17-13)14-8-6-12(16)7-9-14/h2-10H,1,11H2
InChIKeyRDEBXQDYBQDVQU-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.45
Rot. Bonds4

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

N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 166407045) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID166407045
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC NameN-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O/c1-2-15(19)18(11-13-5-3-4-10-17-13)14-8-6-12(16)7-9-14/h2-10H,1,11H2
InChIKeyRDEBXQDYBQDVQU-UHFFFAOYSA-N
XLogP3.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.45
H-Bond Donors ≤ 50
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-chlorophenyl)-2-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 55889470
(E)-3-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55889080
2-[4-chloro-N-(pyridin-2-ylmethyl)anilino]acetic acid
CID 54925675
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 154862277
(2S)-N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 94628131
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 60535758
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 55888701
4-chloro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755921
(2S)-N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 96532793
N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889987
N-(4-chlorophenyl)-2-fluoro-4-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 55889212

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 166407045) is N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is C=CC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is RDEBXQDYBQDVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-2-15(19)18(11-13-5-3-4-10-17-13)14-8-6-12(16)7-9-14/h2-10H,1,11H2.
What are the key properties of N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 272.74 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 166407045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).