1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea

C22H21N3O3 — CID 53090079

IUPAC1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C22H21N3O3/c26-21(17-5-2-1-3-6-17)25-11-10-18-13-16(8-9-20(18)25)14-23-22(27)24-15-19-7-4-12-28-19/h1-9,12-13H,10-11,14-15H2,(H2,23,24,27)
InChIKeyJEHFTZCNCZUAEX-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.48
Rot. Bonds5

About 1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea

1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea (PubChem CID 53090079) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea
PubChem CID53090079
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C22H21N3O3/c26-21(17-5-2-1-3-6-17)25-11-10-18-13-16(8-9-20(18)25)14-23-22(27)24-15-19-7-4-12-28-19/h1-9,12-13H,10-11,14-15H2,(H2,23,24,27)
InChIKeyJEHFTZCNCZUAEX-UHFFFAOYSA-N
XLogP3.48
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-phenoxypropanamide
CID 53093735
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-methoxybenzamide
CID 53093708
methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
CID 10732628
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide
CID 53093713
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
2,3-dihydroindol-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109255112
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea
CID 46383463
2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
CID 53093637
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea
CID 53099481
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methylcarbamic acid
CID 155093178
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092575

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea (CID 53090079) is 1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea is O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)NCc1ccco1.
What is the InChIKey of 1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is JEHFTZCNCZUAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21(17-5-2-1-3-6-17)25-11-10-18-13-16(8-9-20(18)25)14-23-22(27)24-15-19-7-4-12-28-19/h1-9,12-13H,10-11,14-15H2,(H2,23,24,27).
What are the key properties of 1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea?
1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 375.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 53090079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).