N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide

C19H12ClFN2O3 — CID 59673739

IUPACN-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C19H12ClFN2O3/c20-14-2-1-7-22-18(14)13-5-3-11(8-15(13)21)19(24)23-12-4-6-16-17(9-12)26-10-25-16/h1-9H,10H2,(H,23,24)
InChIKeyHATGEQJUHAAXAM-UHFFFAOYSA-N
MW370.77 g/mol
LogP4.52
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide

N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide (PubChem CID 59673739) has the molecular formula C19H12ClFN2O3 and a molecular weight of 370.77 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
PubChem CID59673739
Molecular FormulaC19H12ClFN2O3
Molecular Weight370.77 g/mol
Exact Mass370.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C19H12ClFN2O3/c20-14-2-1-7-22-18(14)13-5-3-11(8-15(13)21)19(24)23-12-4-6-16-17(9-12)26-10-25-16/h1-9H,10H2,(H,23,24)
InChIKeyHATGEQJUHAAXAM-UHFFFAOYSA-N
XLogP4.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
CID 59673213
4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 11245549
4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide
CID 59672610
4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid
CID 69201249
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092867
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092712
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide
CID 59672600
4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092846
N-(1,3-benzodioxol-5-yl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177269
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
CID 109171471

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide (CID 59673739) is N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ncccc2Cl)c(F)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide?
The InChIKey is HATGEQJUHAAXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O3/c20-14-2-1-7-22-18(14)13-5-3-11(8-15(13)21)19(24)23-12-4-6-16-17(9-12)26-10-25-16/h1-9H,10H2,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide?
N-(1,3-benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide has a molecular weight of 370.77 g/mol, XLogP of 4.52, 3 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-yl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 59673739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).