2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide

C19H20Cl2N2O3 — CID 78891138

IUPAC2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-2-10-25-15-7-3-4-8-16(15)26-18-13(6-5-9-22-18)12-23-17(24)14-11-19(14,20)21/h3-9,14H,2,10-12H2,1H3,(H,23,24)
InChIKeyFSDRFXHILLMTLN-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.47
Rot. Bonds8

About 2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 78891138) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
PubChem CID78891138
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-2-10-25-15-7-3-4-8-16(15)26-18-13(6-5-9-22-18)12-23-17(24)14-11-19(14,20)21/h3-9,14H,2,10-12H2,1H3,(H,23,24)
InChIKeyFSDRFXHILLMTLN-UHFFFAOYSA-N
XLogP4.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 120503036
N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119852337
1-amino-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852322
(2S)-2-amino-3,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 119852317
2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119852318
2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
CID 166187966
1-benzyl-2-methyl-3-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 110952764
2-methyl-1-(3-methylsulfanylcyclopentyl)-3-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111529292
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111406229
(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 95206608
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309
2-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1-propylguanidine
CID 111059523

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 78891138) is 2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide is CCCOc1ccccc1Oc1ncccc1CNC(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is FSDRFXHILLMTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-2-10-25-15-7-3-4-8-16(15)26-18-13(6-5-9-22-18)12-23-17(24)14-11-19(14,20)21/h3-9,14H,2,10-12H2,1H3,(H,23,24).
What are the key properties of 2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78891138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).