propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate

C16H21ClN2O2 — CID 171518961

IUPACpropan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate
SMILESCC(C)OC(=O)NCc1cc2cc(Cl)c(C(C)C)cc2[nH]1
InChIInChI=1S/C16H21ClN2O2/c1-9(2)13-7-15-11(6-14(13)17)5-12(19-15)8-18-16(20)21-10(3)4/h5-7,9-10,19H,8H2,1-4H3,(H,18,20)
InChIKeyQBGXNNOYMMEOTF-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.58
Rot. Bonds4

About propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate

propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate (PubChem CID 171518961) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate
PubChem CID171518961
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Namepropan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate
SMILESCC(C)OC(=O)NCc1cc2cc(Cl)c(C(C)C)cc2[nH]1
InChIInChI=1S/C16H21ClN2O2/c1-9(2)13-7-15-11(6-14(13)17)5-12(19-15)8-18-16(20)21-10(3)4/h5-7,9-10,19H,8H2,1-4H3,(H,18,20)
InChIKeyQBGXNNOYMMEOTF-UHFFFAOYSA-N
XLogP4.58
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate (CID 171518961) is propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate is CC(C)OC(=O)NCc1cc2cc(Cl)c(C(C)C)cc2[nH]1.
What is the InChIKey of propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate?
The InChIKey is QBGXNNOYMMEOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-9(2)13-7-15-11(6-14(13)17)5-12(19-15)8-18-16(20)21-10(3)4/h5-7,9-10,19H,8H2,1-4H3,(H,18,20).
What are the key properties of propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate?
propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate has a molecular weight of 308.81 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate is sourced from PubChem (CID 171518961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).