2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide

C23H20N2O3 — CID 1096041

IUPAC2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H20N2O3/c1-16(17-8-3-2-4-9-17)24-22(26)15-25-14-19(18-10-5-6-11-20(18)25)23(27)21-12-7-13-28-21/h2-14,16H,15H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyARSBRNRAYKWVCQ-INIZCTEOSA-N
MW372.42 g/mol
LogP4.34
Rot. Bonds6

About 2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide

2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 1096041) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID1096041
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H20N2O3/c1-16(17-8-3-2-4-9-17)24-22(26)15-25-14-19(18-10-5-6-11-20(18)25)23(27)21-12-7-13-28-21/h2-14,16H,15H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyARSBRNRAYKWVCQ-INIZCTEOSA-N
XLogP4.34
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2975165
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955150
[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955151
2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 1089001
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[3-(2-methylpropanoyl)indol-1-yl]acetamide
CID 95081109
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(furan-2-carbonyl)indol-1-yl]ethanone
CID 1241915
furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone
CID 4127305
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 62816679
[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 21373665
2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
CID 22509769
2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 1095444

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide (CID 1096041) is 2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21)c1ccccc1.
What is the InChIKey of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is ARSBRNRAYKWVCQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-16(17-8-3-2-4-9-17)24-22(26)15-25-14-19(18-10-5-6-11-20(18)25)23(27)21-12-7-13-28-21/h2-14,16H,15H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide?
2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 1096041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).