N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide

C23H22N2O2 — CID 2995931

IUPACN-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1
InChIInChI=1S/C23H22N2O2/c1-3-17-11-13-18(14-12-17)22(26)24-19-8-6-9-20(15-19)25-23(27)21-10-5-4-7-16(21)2/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWIMFHWUWFOJSPH-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.06
Rot. Bonds5

About N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide

N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide (PubChem CID 2995931) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide
PubChem CID2995931
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1
InChIInChI=1S/C23H22N2O2/c1-3-17-11-13-18(14-12-17)22(26)24-19-8-6-9-20(15-19)25-23(27)21-10-5-4-7-16(21)2/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWIMFHWUWFOJSPH-UHFFFAOYSA-N
XLogP5.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide (CID 2995931) is N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide is CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1.
What is the InChIKey of N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide?
The InChIKey is WIMFHWUWFOJSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-17-11-13-18(14-12-17)22(26)24-19-8-6-9-20(15-19)25-23(27)21-10-5-4-7-16(21)2/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide?
N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide has a molecular weight of 358.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethylbenzoyl)amino]phenyl]-2-methylbenzamide is sourced from PubChem (CID 2995931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).