4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide

C17H15ClN2O2 — CID 110730041

IUPAC4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)Cc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c18-14-7-5-12(6-8-14)17(22)19-9-10-20-15-4-2-1-3-13(15)11-16(20)21/h1-8H,9-11H2,(H,19,22)
InChIKeyQTVKWVPUKBOMDX-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.66
Rot. Bonds4

About 4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide

4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide (PubChem CID 110730041) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
PubChem CID110730041
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)Cc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c18-14-7-5-12(6-8-14)17(22)19-9-10-20-15-4-2-1-3-13(15)11-16(20)21/h1-8H,9-11H2,(H,19,22)
InChIKeyQTVKWVPUKBOMDX-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730047
3,4-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730027
2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730048
1-[(4-chlorophenyl)methyl]-2-methyl-3-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine;hydroiodide
CID 119129873
3-(2-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide
CID 110730068
1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119745257
3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide
CID 110730062
7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
CID 119745258
2-(3-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730070
2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
CID 119745286
2-(4-methoxyphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730034
6-chloro-4-hydroxy-2-oxo-N-[2-(2-oxo-3H-indol-1-yl)ethyl]-1,3-dihydroquinoline-4-carboxamide
CID 167845626

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide (CID 110730041) is 4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide is O=C(NCCN1C(=O)Cc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
The InChIKey is QTVKWVPUKBOMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-14-7-5-12(6-8-14)17(22)19-9-10-20-15-4-2-1-3-13(15)11-16(20)21/h1-8H,9-11H2,(H,19,22).
What are the key properties of 4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide has a molecular weight of 314.77 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide is sourced from PubChem (CID 110730041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).