3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide

C19H20Cl2N2O2 — CID 72688526

IUPAC3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESCOCCCN(Cc1ccncc1)C(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-25-12-2-11-23(14-16-7-9-22-10-8-16)19(24)6-4-15-3-5-17(20)18(21)13-15/h3-10,13H,2,11-12,14H2,1H3
InChIKeyNEIVBBHYMMNPSS-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.47
Rot. Bonds8

About 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide

3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide (PubChem CID 72688526) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
PubChem CID72688526
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESCOCCCN(Cc1ccncc1)C(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-25-12-2-11-23(14-16-7-9-22-10-8-16)19(24)6-4-15-3-5-17(20)18(21)13-15/h3-10,13H,2,11-12,14H2,1H3
InChIKeyNEIVBBHYMMNPSS-UHFFFAOYSA-N
XLogP4.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 55488088
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391
(E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide
CID 46554937
N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 56782285
(E)-3-(2-chlorophenyl)-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 45209048
methyl 3-[3-(3,4-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76909923
3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61008261
3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 895970
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 78792703
N-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 76870664
(E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide
CID 134118071
methyl 2-[benzyl-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]acetate
CID 55993230

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide (CID 72688526) is 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide is COCCCN(Cc1ccncc1)C(=O)C=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The InChIKey is NEIVBBHYMMNPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-25-12-2-11-23(14-16-7-9-22-10-8-16)19(24)6-4-15-3-5-17(20)18(21)13-15/h3-10,13H,2,11-12,14H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide has a molecular weight of 379.29 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 72688526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).