(3-acetamidophenyl)methyl 4-indol-1-ylbenzoate

C24H20N2O3 — CID 167905028

IUPAC(3-acetamidophenyl)methyl 4-indol-1-ylbenzoate
SMILESCC(=O)Nc1cccc(COC(=O)c2ccc(-n3ccc4ccccc43)cc2)c1
InChIInChI=1S/C24H20N2O3/c1-17(27)25-21-7-4-5-18(15-21)16-29-24(28)20-9-11-22(12-10-20)26-14-13-19-6-2-3-8-23(19)26/h2-15H,16H2,1H3,(H,25,27)
InChIKeyDLHPORNHEWBOHB-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.95
Rot. Bonds5

About (3-acetamidophenyl)methyl 4-indol-1-ylbenzoate

(3-acetamidophenyl)methyl 4-indol-1-ylbenzoate (PubChem CID 167905028) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3-acetamidophenyl)methyl 4-indol-1-ylbenzoate.

Molecular Properties

Compound Name(3-acetamidophenyl)methyl 4-indol-1-ylbenzoate
PubChem CID167905028
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name(3-acetamidophenyl)methyl 4-indol-1-ylbenzoate
SMILESCC(=O)Nc1cccc(COC(=O)c2ccc(-n3ccc4ccccc43)cc2)c1
InChIInChI=1S/C24H20N2O3/c1-17(27)25-21-7-4-5-18(15-21)16-29-24(28)20-9-11-22(12-10-20)26-14-13-19-6-2-3-8-23(19)26/h2-15H,16H2,1H3,(H,25,27)
InChIKeyDLHPORNHEWBOHB-UHFFFAOYSA-N
XLogP4.95
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-indol-1-ylbenzamide
CID 10879114
(3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate
CID 99781082
(3-nitrophenyl)methyl 3-acetamidobenzoate
CID 2582139
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917
N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide
CID 11023651
benzyl 4-acetylbenzoate
CID 590101
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524816
ethyl 3-acetamidobenzoate
CID 700589
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
(2,6-dichlorophenyl)methyl 3-acetamidobenzoate
CID 976117

Frequently Asked Questions

What is the IUPAC name of (3-acetamidophenyl)methyl 4-indol-1-ylbenzoate?
The IUPAC name of (3-acetamidophenyl)methyl 4-indol-1-ylbenzoate (CID 167905028) is (3-acetamidophenyl)methyl 4-indol-1-ylbenzoate.
What is the SMILES notation for (3-acetamidophenyl)methyl 4-indol-1-ylbenzoate?
The canonical SMILES for (3-acetamidophenyl)methyl 4-indol-1-ylbenzoate is CC(=O)Nc1cccc(COC(=O)c2ccc(-n3ccc4ccccc43)cc2)c1.
What is the InChIKey of (3-acetamidophenyl)methyl 4-indol-1-ylbenzoate?
The InChIKey is DLHPORNHEWBOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-17(27)25-21-7-4-5-18(15-21)16-29-24(28)20-9-11-22(12-10-20)26-14-13-19-6-2-3-8-23(19)26/h2-15H,16H2,1H3,(H,25,27).
What are the key properties of (3-acetamidophenyl)methyl 4-indol-1-ylbenzoate?
(3-acetamidophenyl)methyl 4-indol-1-ylbenzoate has a molecular weight of 384.44 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamidophenyl)methyl 4-indol-1-ylbenzoate is sourced from PubChem (CID 167905028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).