N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide

C14H9Cl3N2O — CID 4676638

IUPACN-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1cccnc1Cl
InChIInChI=1S/C14H9Cl3N2O/c15-10-5-3-9(8-11(10)16)4-6-13(20)19-12-2-1-7-18-14(12)17/h1-8H,(H,19,20)
InChIKeyOKSXIZBSDLXZAO-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.69
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide

N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 4676638) has the molecular formula C14H9Cl3N2O and a molecular weight of 327.60 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID4676638
Molecular FormulaC14H9Cl3N2O
Molecular Weight327.60 g/mol
Exact Mass325.98
IUPAC NameN-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1cccnc1Cl
InChIInChI=1S/C14H9Cl3N2O/c15-10-5-3-9(8-11(10)16)4-6-13(20)19-12-2-1-7-18-14(12)17/h1-8H,(H,19,20)
InChIKeyOKSXIZBSDLXZAO-UHFFFAOYSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 6183154
(E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide
CID 56500151
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 8636808
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
(E)-3-(3,4-dichlorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368313
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 72687476
N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4988689
(E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 16577559
3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 2932282
(E)-3-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 18227019

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide (CID 4676638) is N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is OKSXIZBSDLXZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O/c15-10-5-3-9(8-11(10)16)4-6-13(20)19-12-2-1-7-18-14(12)17/h1-8H,(H,19,20).
What are the key properties of N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 327.60 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 4676638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).