N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide

C18H14ClN3O3 — CID 35322937

IUPACN-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C18H14ClN3O3/c19-14-8-20-22(10-14)9-12-1-3-13(4-2-12)18(23)21-15-5-6-16-17(7-15)25-11-24-16/h1-8,10H,9,11H2,(H,21,23)
InChIKeyBBWBIKDJZFLBRX-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.57
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide

N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide (PubChem CID 35322937) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
PubChem CID35322937
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C18H14ClN3O3/c19-14-8-20-22(10-14)9-12-1-3-13(4-2-12)18(23)21-15-5-6-16-17(7-15)25-11-24-16/h1-8,10H,9,11H2,(H,21,23)
InChIKeyBBWBIKDJZFLBRX-UHFFFAOYSA-N
XLogP3.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27648532
4-[(4-chloropyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35323173
4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 35323043
N-(1,3-benzodioxol-5-yl)-1-benzyltriazole-4-carboxamide
CID 31699405
4-N-(1,3-benzodioxol-5-yl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046758
3-(1,3-benzodioxol-5-yl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19513484
methyl 3-chloro-6-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 17021846
N-(1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109261477
3-(1,3-benzodioxol-5-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 74640560
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 19397856
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
CID 109108795

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide (CID 35322937) is N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cn2cc(Cl)cn2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
The InChIKey is BBWBIKDJZFLBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-14-8-20-22(10-14)9-12-1-3-13(4-2-12)18(23)21-15-5-6-16-17(7-15)25-11-24-16/h1-8,10H,9,11H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide?
N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide has a molecular weight of 355.78 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 35322937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).