Mepronil

C17H19NO2 — CID 41632

IUPAC2-methyl-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C
InChIInChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)
InChIKeyBCTQJXQXJVLSIG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.70
Rot. Bonds4

About Mepronil

Mepronil (PubChem CID 41632) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-N-(3-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound NameMepronil
PubChem CID41632
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-methyl-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C
InChIInChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)
InChIKeyBCTQJXQXJVLSIG-UHFFFAOYSA-N
XLogP3.70
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity316

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
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Benzamide, N-(3-methoxyphenyl)-2-(trifluoromethyl)-
CID 846634
Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
VU0357121
CID 2296132
6-((Z)-Amino(imino)methyl)-N-(3-(cyclopentyloxy)phenyl)-2-naphthamide
CID 447734
N-(3-(2-fluoroethoxy)phenyl)-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
CID 24883488
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
Benzamide, N-(4-ethoxyphenyl)-
CID 203878

Frequently Asked Questions

What is the IUPAC name of Mepronil?
The IUPAC name of Mepronil (CID 41632) is 2-methyl-N-(3-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for Mepronil?
The canonical SMILES for Mepronil is CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C.
What is the InChIKey of Mepronil?
The InChIKey is BCTQJXQXJVLSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19).
What are the key properties of Mepronil?
Mepronil has a molecular weight of 269.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Mepronil is sourced from PubChem (CID 41632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).