N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide

C17H15ClN2O2 — CID 112537239

IUPACN-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide
SMILESCC(=O)N(C(=O)c1cccc(Cl)c1)c1cccc2c1NCC2
InChIInChI=1S/C17H15ClN2O2/c1-11(21)20(17(22)13-5-2-6-14(18)10-13)15-7-3-4-12-8-9-19-16(12)15/h2-7,10,19H,8-9H2,1H3
InChIKeyDYWWWXAODKCTSZ-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.50
Rot. Bonds2

About N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide

N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide (PubChem CID 112537239) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide.

Molecular Properties

Compound NameN-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide
PubChem CID112537239
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide
SMILESCC(=O)N(C(=O)c1cccc(Cl)c1)c1cccc2c1NCC2
InChIInChI=1S/C17H15ClN2O2/c1-11(21)20(17(22)13-5-2-6-14(18)10-13)15-7-3-4-12-8-9-19-16(12)15/h2-7,10,19H,8-9H2,1H3
InChIKeyDYWWWXAODKCTSZ-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide?
The IUPAC name of N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide (CID 112537239) is N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide.
What is the SMILES notation for N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide?
The canonical SMILES for N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide is CC(=O)N(C(=O)c1cccc(Cl)c1)c1cccc2c1NCC2.
What is the InChIKey of N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide?
The InChIKey is DYWWWXAODKCTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11(21)20(17(22)13-5-2-6-14(18)10-13)15-7-3-4-12-8-9-19-16(12)15/h2-7,10,19H,8-9H2,1H3.
What are the key properties of N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide?
N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide has a molecular weight of 314.77 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-chloro-N-(2,3-dihydro-1H-indol-7-yl)benzamide is sourced from PubChem (CID 112537239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).