N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C20H20F2N2O4 — CID 46438663

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)cc1OC(F)F
InChIInChI=1S/C20H20F2N2O4/c1-11-8-15(11)19(26)24-13-5-3-4-12(9-13)18(25)23-14-6-7-16(27-2)17(10-14)28-20(21)22/h3-7,9-11,15,20H,8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPTCQIPKRBLYTAZ-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.14
Rot. Bonds7

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 46438663) has the molecular formula C20H20F2N2O4 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID46438663
Molecular FormulaC20H20F2N2O4
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)cc1OC(F)F
InChIInChI=1S/C20H20F2N2O4/c1-11-8-15(11)19(26)24-13-5-3-4-12(9-13)18(25)23-14-6-7-16(27-2)17(10-14)28-20(21)22/h3-7,9-11,15,20H,8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPTCQIPKRBLYTAZ-UHFFFAOYSA-N
XLogP4.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide with MolForge

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Related Compounds

cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465635
cis-(1S,2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465638
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42941162
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
5-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]pyridine-2-carboxamide
CID 99597712
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 46540432
N-[2-(2-methoxyphenyl)ethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959283

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 46438663) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is COc1ccc(NC(=O)c2cccc(NC(=O)C3CC3C)c2)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is PTCQIPKRBLYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4/c1-11-8-15(11)19(26)24-13-5-3-4-12(9-13)18(25)23-14-6-7-16(27-2)17(10-14)28-20(21)22/h3-7,9-11,15,20H,8H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 390.39 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 46438663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).