(1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate

C28H24N2O2 — CID 86659871

IUPAC(1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C28H24N2O2/c31-28(29-25-13-11-23(12-14-25)22-9-5-2-6-10-22)32-26-15-16-27-24(19-26)17-18-30(27)20-21-7-3-1-4-8-21/h1-16,19H,17-18,20H2,(H,29,31)
InChIKeyNJWBCHJEALEIIC-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.53
Rot. Bonds5

About (1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate

(1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate (PubChem CID 86659871) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is (1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate.

Molecular Properties

Compound Name(1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate
PubChem CID86659871
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name(1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)CCN2Cc1ccccc1
InChIInChI=1S/C28H24N2O2/c31-28(29-25-13-11-23(12-14-25)22-9-5-2-6-10-22)32-26-15-16-27-24(19-26)17-18-30(27)20-21-7-3-1-4-8-21/h1-16,19H,17-18,20H2,(H,29,31)
InChIKeyNJWBCHJEALEIIC-UHFFFAOYSA-N
XLogP6.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzyl-2,3-dihydroindol-5-yl) N-propylcarbamate
CID 46865060
(1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate
CID 46866348
(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate
CID 86659867
(1-benzyl-2,3-dihydroindol-5-yl) N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 46866660
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
CID 67179519
(1-phenyl-2,3-dihydroindol-5-yl) N-(4-propan-2-ylphenyl)carbamate
CID 86659883
1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913237
[(8bR)-3-benzyl-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
CID 10024747
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
1-benzyl-5-chloro-2,3-dihydroindole
CID 12733465
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-phenylmethoxyphenyl)carbamate
CID 10503416
2,2,2-trifluoroethyl 1-benzyl-2,3-dihydroindole-5-carboxylate
CID 156703137

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate?
The IUPAC name of (1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate (CID 86659871) is (1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate.
What is the SMILES notation for (1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate?
The canonical SMILES for (1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate is O=C(Nc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)CCN2Cc1ccccc1.
What is the InChIKey of (1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate?
The InChIKey is NJWBCHJEALEIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-28(29-25-13-11-23(12-14-25)22-9-5-2-6-10-22)32-26-15-16-27-24(19-26)17-18-30(27)20-21-7-3-1-4-8-21/h1-16,19H,17-18,20H2,(H,29,31).
What are the key properties of (1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate?
(1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate has a molecular weight of 420.51 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate is sourced from PubChem (CID 86659871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).