methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate

C20H18F2N2O4 — CID 78869714

IUPACmethyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(NC(=O)C3CC3C)cc2)c(F)cc1F
InChIInChI=1S/C20H18F2N2O4/c1-10-7-13(10)19(26)23-12-5-3-11(4-6-12)18(25)24-17-8-14(20(27)28-2)15(21)9-16(17)22/h3-6,8-10,13H,7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyAIZQCRSPBGRYNO-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.60
Rot. Bonds5

About methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate

methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate (PubChem CID 78869714) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate
PubChem CID78869714
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Namemethyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(NC(=O)C3CC3C)cc2)c(F)cc1F
InChIInChI=1S/C20H18F2N2O4/c1-10-7-13(10)19(26)23-12-5-3-11(4-6-12)18(25)24-17-8-14(20(27)28-2)15(21)9-16(17)22/h3-6,8-10,13H,7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyAIZQCRSPBGRYNO-UHFFFAOYSA-N
XLogP3.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
methyl 4-fluoro-5-methoxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoate
CID 138013256
methyl 2,4-difluoro-5-[(2-nitrocyclopropanecarbonyl)amino]benzoate
CID 71940867
methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159022
methyl 2-chloro-5-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159016
methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate
CID 42944601
methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143902
methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate
CID 46539881
2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid
CID 119240303
methyl 5-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]-2,4-difluorobenzoate
CID 139215222
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate (CID 78869714) is methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate is COC(=O)c1cc(NC(=O)c2ccc(NC(=O)C3CC3C)cc2)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate?
The InChIKey is AIZQCRSPBGRYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c1-10-7-13(10)19(26)23-12-5-3-11(4-6-12)18(25)24-17-8-14(20(27)28-2)15(21)9-16(17)22/h3-6,8-10,13H,7H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate?
methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate has a molecular weight of 388.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate is sourced from PubChem (CID 78869714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).