N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide

C28H23N3O3 — CID 55824718

IUPACN-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C28H23N3O3/c32-27(20-10-6-11-21(16-20)31-28(33)26-14-7-15-34-26)30-17-23(19-8-2-1-3-9-19)24-18-29-25-13-5-4-12-22(24)25/h1-16,18,23,29H,17H2,(H,30,32)(H,31,33)
InChIKeyONUHTIJZVLTJEG-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.58
Rot. Bonds7

About N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide

N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55824718) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55824718
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC NameN-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C28H23N3O3/c32-27(20-10-6-11-21(16-20)31-28(33)26-14-7-15-34-26)30-17-23(19-8-2-1-3-9-19)24-18-29-25-13-5-4-12-22(24)25/h1-16,18,23,29H,17H2,(H,30,32)(H,31,33)
InChIKeyONUHTIJZVLTJEG-UHFFFAOYSA-N
XLogP5.58
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 43004909
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 92892940
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 37311265
N-[3-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049716
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
CID 17449245
4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46692237
4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 24599838

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55824718) is N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide is O=C(NCC(c1ccccc1)c1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ONUHTIJZVLTJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c32-27(20-10-6-11-21(16-20)31-28(33)26-14-7-15-34-26)30-17-23(19-8-2-1-3-9-19)24-18-29-25-13-5-4-12-22(24)25/h1-16,18,23,29H,17H2,(H,30,32)(H,31,33).
What are the key properties of N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 5.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55824718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).