N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide

C19H18ClN3O2 — CID 9116690

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H18ClN3O2/c1-12-15(20)6-4-8-16(12)23-19(25)11-22-18(24)9-13-10-21-17-7-3-2-5-14(13)17/h2-8,10,21H,9,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyBOJWBFYYUUVVSS-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 9116690) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID9116690
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H18ClN3O2/c1-12-15(20)6-4-8-16(12)23-19(25)11-22-18(24)9-13-10-21-17-7-3-2-5-14(13)17/h2-8,10,21H,9,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyBOJWBFYYUUVVSS-UHFFFAOYSA-N
XLogP3.43
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide (CID 9116690) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is BOJWBFYYUUVVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-15(20)6-4-8-16(12)23-19(25)11-22-18(24)9-13-10-21-17-7-3-2-5-14(13)17/h2-8,10,21H,9,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 355.83 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 9116690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).