propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate

C19H18N2O3 — CID 39964134

IUPACpropan-2-yl 4-(1H-indole-3-carbonylamino)benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-12(2)24-19(23)13-7-9-14(10-8-13)21-18(22)16-11-20-17-6-4-3-5-15(16)17/h3-12,20H,1-2H3,(H,21,22)
InChIKeyCGILNQBZQCAONE-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.99
Rot. Bonds4

About propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate

propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate (PubChem CID 39964134) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(1H-indole-3-carbonylamino)benzoate
PubChem CID39964134
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namepropan-2-yl 4-(1H-indole-3-carbonylamino)benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-12(2)24-19(23)13-7-9-14(10-8-13)21-18(22)16-11-20-17-6-4-3-5-15(16)17/h3-12,20H,1-2H3,(H,21,22)
InChIKeyCGILNQBZQCAONE-UHFFFAOYSA-N
XLogP3.99
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8909697
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-(4-ethylphenyl)-1H-indole-3-carboxamide;molecular hydrogen
CID 159635618
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7493007
propan-2-yl 4-[(8-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 43831906
N-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-3-carboxamide
CID 90023479
N-[4-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 61221955
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate?
The IUPAC name of propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate (CID 39964134) is propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate.
What is the SMILES notation for propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate?
The canonical SMILES for propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate is CC(C)OC(=O)c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate?
The InChIKey is CGILNQBZQCAONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(2)24-19(23)13-7-9-14(10-8-13)21-18(22)16-11-20-17-6-4-3-5-15(16)17/h3-12,20H,1-2H3,(H,21,22).
What are the key properties of propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate?
propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate has a molecular weight of 322.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate is sourced from PubChem (CID 39964134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).