3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide

C22H19ClN2O3 — CID 7312051

IUPAC3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C22H19ClN2O3/c1-2-28-20-12-4-3-11-19(20)25-22(27)16-8-6-10-18(14-16)24-21(26)15-7-5-9-17(23)13-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyNCKFBOZFTMGCTG-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.24
Rot. Bonds6

About 3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide

3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide (PubChem CID 7312051) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide
PubChem CID7312051
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C22H19ClN2O3/c1-2-28-20-12-4-3-11-19(20)25-22(27)16-8-6-10-18(14-16)24-21(26)15-7-5-9-17(23)13-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyNCKFBOZFTMGCTG-UHFFFAOYSA-N
XLogP5.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide (CID 7312051) is 3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide is CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide?
The InChIKey is NCKFBOZFTMGCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-2-28-20-12-4-3-11-19(20)25-22(27)16-8-6-10-18(14-16)24-21(26)15-7-5-9-17(23)13-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide?
3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide has a molecular weight of 394.86 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorobenzoyl)amino]-N-(2-ethoxyphenyl)benzamide is sourced from PubChem (CID 7312051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).