N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide

C21H23N3O3 — CID 86822897

IUPACN-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)c1C
InChIInChI=1S/C21H23N3O3/c1-13-17(22-14(2)25)8-6-9-18(13)23-20(26)16-7-4-5-10-19(16)24(3)21(27)15-11-12-15/h4-10,15H,11-12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyIFDZWIBPIKSPSB-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.58
Rot. Bonds5

About N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide

N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide (PubChem CID 86822897) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
PubChem CID86822897
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)c1C
InChIInChI=1S/C21H23N3O3/c1-13-17(22-14(2)25)8-6-9-18(13)23-20(26)16-7-4-5-10-19(16)24(3)21(27)15-11-12-15/h4-10,15H,11-12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyIFDZWIBPIKSPSB-UHFFFAOYSA-N
XLogP3.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide (CID 86822897) is N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide is CC(=O)Nc1cccc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
The InChIKey is IFDZWIBPIKSPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-17(22-14(2)25)8-6-9-18(13)23-20(26)16-7-4-5-10-19(16)24(3)21(27)15-11-12-15/h4-10,15H,11-12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide is sourced from PubChem (CID 86822897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).