N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide

C16H14Cl2N2O — CID 154862277

IUPACN-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1
InChIInChI=1S/C16H14Cl2N2O/c1-2-16(21)20(11-13-5-3-4-8-19-13)10-12-6-7-14(17)15(18)9-12/h2-9H,1,10-11H2
InChIKeyREYSZVQJLYMCER-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.10
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide

N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 154862277) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID154862277
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1
InChIInChI=1S/C16H14Cl2N2O/c1-2-16(21)20(11-13-5-3-4-8-19-13)10-12-6-7-14(17)15(18)9-12/h2-9H,1,10-11H2
InChIKeyREYSZVQJLYMCER-UHFFFAOYSA-N
XLogP4.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.10
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

3-(4-acetamidophenyl)-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 76878663
N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide
CID 60610103
N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 166407045
N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 60608120
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 60591052
(E)-4-oxo-4-[prop-2-enyl(pyridin-2-ylmethyl)amino]but-2-enoic acid
CID 39349109
N-[(3,4-dichlorophenyl)methyl]-6-(2-methoxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 155965271
2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43564662
N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 74497350
N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 6487075
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42725101
N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide
CID 169304212

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 154862277) is N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide is C=CC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is REYSZVQJLYMCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-2-16(21)20(11-13-5-3-4-8-19-13)10-12-6-7-14(17)15(18)9-12/h2-9H,1,10-11H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 321.21 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 154862277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).