N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide

C18H17ClN2O2 — CID 7447280

IUPACN-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(Cc2ccccc2Cl)c2ccc(C)cc21
InChIInChI=1S/C18H17ClN2O2/c1-11-7-8-16-14(9-11)17(20-12(2)22)18(23)21(16)10-13-5-3-4-6-15(13)19/h3-9,17H,10H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyXIIRVPNIUOYXTR-KRWDZBQOSA-N
MW328.80 g/mol
LogP3.37
Rot. Bonds3

About N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 7447280) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID7447280
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(Cc2ccccc2Cl)c2ccc(C)cc21
InChIInChI=1S/C18H17ClN2O2/c1-11-7-8-16-14(9-11)17(20-12(2)22)18(23)21(16)10-13-5-3-4-6-15(13)19/h3-9,17H,10H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyXIIRVPNIUOYXTR-KRWDZBQOSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide (CID 7447280) is N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2Cl)c2ccc(C)cc21.
What is the InChIKey of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is XIIRVPNIUOYXTR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-7-8-16-14(9-11)17(20-12(2)22)18(23)21(16)10-13-5-3-4-6-15(13)19/h3-9,17H,10H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 7447280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).