2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide

C23H22N2O3 — CID 1228354

IUPAC2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C23H22N2O3/c1-3-28-21-13-5-4-12-20(21)23(27)25-19-11-7-9-17(15-19)22(26)24-18-10-6-8-16(2)14-18/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyARHSQZMNZWNOCE-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.90
Rot. Bonds6

About 2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide

2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide (PubChem CID 1228354) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
PubChem CID1228354
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C23H22N2O3/c1-3-28-21-13-5-4-12-20(21)23(27)25-19-11-7-9-17(15-19)22(26)24-18-10-6-8-16(2)14-18/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyARHSQZMNZWNOCE-UHFFFAOYSA-N
XLogP4.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide (CID 1228354) is 2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is ARHSQZMNZWNOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-3-28-21-13-5-4-12-20(21)23(27)25-19-11-7-9-17(15-19)22(26)24-18-10-6-8-16(2)14-18/h4-15H,3H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 1228354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).