N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide

C21H17ClN2O3 — CID 110373610

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C21H17ClN2O3/c22-16-7-5-15(6-8-16)20(17-3-1-2-10-23-17)21(25)24-12-14-4-9-18-19(11-14)27-13-26-18/h1-11,20H,12-13H2,(H,24,25)
InChIKeyWWKPBBAPDWFQLS-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.91
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide (PubChem CID 110373610) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide
PubChem CID110373610
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C21H17ClN2O3/c22-16-7-5-15(6-8-16)20(17-3-1-2-10-23-17)21(25)24-12-14-4-9-18-19(11-14)27-13-26-18/h1-11,20H,12-13H2,(H,24,25)
InChIKeyWWKPBBAPDWFQLS-UHFFFAOYSA-N
XLogP3.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 10224224
2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide
CID 110373599
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-phenylethyl]-N-[(4-chlorophenyl)methyl]propanamide
CID 133237603
(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 28649895
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 3613067
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloropropanamide
CID 2435381
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18161939
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629283
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086966
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methyl-propanoylamino]-3-phenylpropanamide
CID 133214553

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide (CID 110373610) is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide is O=C(NCc1ccc2c(c1)OCO2)C(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide?
The InChIKey is WWKPBBAPDWFQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-16-7-5-15(6-8-16)20(17-3-1-2-10-23-17)21(25)24-12-14-4-9-18-19(11-14)27-13-26-18/h1-11,20H,12-13H2,(H,24,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide has a molecular weight of 380.83 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 110373610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).