7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

C20H15ClN2O3 — CID 51184964

IUPAC7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C20H15ClN2O3/c21-15-10-14(11-17-19(15)26-12-25-17)20(24)23-18(13-6-2-1-3-7-13)16-8-4-5-9-22-16/h1-11,18H,12H2,(H,23,24)
InChIKeyJGUVJRKCOOGKSF-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.98
Rot. Bonds4

About 7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 51184964) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is 7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID51184964
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C20H15ClN2O3/c21-15-10-14(11-17-19(15)26-12-25-17)20(24)23-18(13-6-2-1-3-7-13)16-8-4-5-9-22-16/h1-11,18H,12H2,(H,23,24)
InChIKeyJGUVJRKCOOGKSF-UHFFFAOYSA-N
XLogP3.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-benzodioxole-5-carboxamide
CID 47014626
7-chloro-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-benzodioxole-5-carboxamide
CID 31357742
3-oxo-N-[phenyl(pyridin-2-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide
CID 134021250
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
7-chloro-N'-methyl-N'-phenyl-1,3-benzodioxole-5-carbohydrazide
CID 9480093
3-(carbamoylamino)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78779505
6-chloro-N-(1-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 46672343
7-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46654256
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51465630
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
N-(benzimidazol-1-yl)-7-chloro-1,3-benzodioxole-5-carboxamide
CID 34334265

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 51184964) is 7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is O=C(NC(c1ccccc1)c1ccccn1)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is JGUVJRKCOOGKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c21-15-10-14(11-17-19(15)26-12-25-17)20(24)23-18(13-6-2-1-3-7-13)16-8-4-5-9-22-16/h1-11,18H,12H2,(H,23,24).
What are the key properties of 7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 366.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[phenyl(pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51184964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).