N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide

C24H25ClN2O2 — CID 3463366

IUPACN-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C24H25ClN2O2/c1-16-20(25)11-7-12-21(16)26-23(28)15-27-14-19(18-10-5-6-13-22(18)27)24(29)17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9,15H2,1H3,(H,26,28)
InChIKeyMWEVNNUZAQFTCW-UHFFFAOYSA-N
MW408.93 g/mol
LogP6.00
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide (PubChem CID 3463366) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
PubChem CID3463366
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C24H25ClN2O2/c1-16-20(25)11-7-12-21(16)26-23(28)15-27-14-19(18-10-5-6-13-22(18)27)24(29)17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9,15H2,1H3,(H,26,28)
InChIKeyMWEVNNUZAQFTCW-UHFFFAOYSA-N
XLogP6.00
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide (CID 3463366) is N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide is Cc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide?
The InChIKey is MWEVNNUZAQFTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-16-20(25)11-7-12-21(16)26-23(28)15-27-14-19(18-10-5-6-13-22(18)27)24(29)17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9,15H2,1H3,(H,26,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide has a molecular weight of 408.93 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 3463366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).