2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide

C18H18N4O2 — CID 38160633

IUPAC2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
SMILESCNC(=O)Nc1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H18N4O2/c1-19-18(24)22-14-6-4-5-13(10-14)21-17(23)9-12-11-20-16-8-3-2-7-15(12)16/h2-8,10-11,20H,9H2,1H3,(H,21,23)(H2,19,22,24)
InChIKeyUSWQGNCDXRMEHL-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.10
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide

2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide (PubChem CID 38160633) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
PubChem CID38160633
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
SMILESCNC(=O)Nc1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H18N4O2/c1-19-18(24)22-14-6-4-5-13(10-14)21-17(23)9-12-11-20-16-8-3-2-7-15(12)16/h2-8,10-11,20H,9H2,1H3,(H,21,23)(H2,19,22,24)
InChIKeyUSWQGNCDXRMEHL-UHFFFAOYSA-N
XLogP3.10
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 38738127
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
N-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 46400273
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140853
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
N-(3-acetamidophenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861296
N-(9-ethylcarbazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 2466222
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
2-(1H-indol-3-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 38781899
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 32582075

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide (CID 38160633) is 2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide is CNC(=O)Nc1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide?
The InChIKey is USWQGNCDXRMEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-19-18(24)22-14-6-4-5-13(10-14)21-17(23)9-12-11-20-16-8-3-2-7-15(12)16/h2-8,10-11,20H,9H2,1H3,(H,21,23)(H2,19,22,24).
What are the key properties of 2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide?
2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 38160633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).