2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide

C21H16N2O3 — CID 134154996

IUPAC2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide
SMILESCOc1cccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)c1
InChIInChI=1S/C21H16N2O3/c1-26-15-6-4-5-14(12-15)22-21(25)20(24)13-9-10-19-17(11-13)16-7-2-3-8-18(16)23-19/h2-12,23H,1H3,(H,22,25)
InChIKeyHORCRNXRWFDNSD-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.15
Rot. Bonds4

About 2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide

2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide (PubChem CID 134154996) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide
PubChem CID134154996
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide
SMILESCOc1cccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)c1
InChIInChI=1S/C21H16N2O3/c1-26-15-6-4-5-14(12-15)22-21(25)20(24)13-9-10-19-17(11-13)16-7-2-3-8-18(16)23-19/h2-12,23H,1H3,(H,22,25)
InChIKeyHORCRNXRWFDNSD-UHFFFAOYSA-N
XLogP4.15
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-N-(3-methylphenyl)-2-oxoacetamide
CID 82123593
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-phenoxyphenyl)acetamide
CID 44596683
methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate
CID 82667262
N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide
CID 21241368
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562
(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 122192252
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42901293
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 110691156
4-tert-butyl-N-(9H-carbazol-3-yl)benzamide
CID 43917219

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide (CID 134154996) is 2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide is COc1cccc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)c1.
What is the InChIKey of 2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide?
The InChIKey is HORCRNXRWFDNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-26-15-6-4-5-14(12-15)22-21(25)20(24)13-9-10-19-17(11-13)16-7-2-3-8-18(16)23-19/h2-12,23H,1H3,(H,22,25).
What are the key properties of 2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide?
2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide has a molecular weight of 344.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 134154996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).