N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide

C18H16Cl2N2O2 — CID 9178417

IUPACN-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(C)cc21
InChIInChI=1S/C18H16Cl2N2O2/c1-10-3-6-16-14(7-10)17(21-11(2)23)18(24)22(16)9-12-4-5-13(19)8-15(12)20/h3-8,17H,9H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyFUGZWALXCJISKL-KRWDZBQOSA-N
MW363.24 g/mol
LogP4.03
Rot. Bonds3

About N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178417) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178417
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC NameN-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(C)cc21
InChIInChI=1S/C18H16Cl2N2O2/c1-10-3-6-16-14(7-10)17(21-11(2)23)18(24)22(16)9-12-4-5-13(19)8-15(12)20/h3-8,17H,9H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyFUGZWALXCJISKL-KRWDZBQOSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447280
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178440
N-[(3R)-1-[(2-ethoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178396
N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 7447387
N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178957
N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178401
N-[(3S)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942909
N-[(3R)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942908
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178993
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
CID 2711857

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178417) is N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(C)cc21.
What is the InChIKey of N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is FUGZWALXCJISKL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-10-3-6-16-14(7-10)17(21-11(2)23)18(24)22(16)9-12-4-5-13(19)8-15(12)20/h3-8,17H,9H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 363.24 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).