2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide

C25H21N3O2 — CID 68778884

IUPAC2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide
SMILESCCc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H21N3O2/c1-2-17-8-3-5-12-21(17)25(30)26-20-11-7-10-19(16-20)24(29)28-23-15-14-18-9-4-6-13-22(18)27-23/h3-16H,2H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyIJPXZUIHFSJDSU-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.30
Rot. Bonds5

About 2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide

2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 68778884) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide
PubChem CID68778884
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide
SMILESCCc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H21N3O2/c1-2-17-8-3-5-12-21(17)25(30)26-20-11-7-10-19(16-20)24(29)28-23-15-14-18-9-4-6-13-22(18)27-23/h3-16H,2H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyIJPXZUIHFSJDSU-UHFFFAOYSA-N
XLogP5.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 91266740
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide
CID 55376504
2,3,4-trihydroxy-N-quinolin-2-ylbenzamide
CID 54185364
3,5-difluoro-N-quinolin-2-ylbenzamide
CID 51193516
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375541
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide (CID 68778884) is 2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide is CCc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is IJPXZUIHFSJDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-2-17-8-3-5-12-21(17)25(30)26-20-11-7-10-19(16-20)24(29)28-23-15-14-18-9-4-6-13-22(18)27-23/h3-16H,2H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of 2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide?
2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 68778884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).