5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide

C18H17ClN2O — CID 118425351

IUPAC5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)C1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C18H17ClN2O/c19-14-6-7-15-12(10-14)11-16(20-15)17(22)21-18(8-9-18)13-4-2-1-3-5-13/h1-7,10,16,20H,8-9,11H2,(H,21,22)
InChIKeyHFLGBLYRUYCCCG-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.48
Rot. Bonds3

About 5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide

5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 118425351) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID118425351
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)C1Cc2cc(Cl)ccc2N1
InChIInChI=1S/C18H17ClN2O/c19-14-6-7-15-12(10-14)11-16(20-15)17(22)21-18(8-9-18)13-4-2-1-3-5-13/h1-7,10,16,20H,8-9,11H2,(H,21,22)
InChIKeyHFLGBLYRUYCCCG-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 118425351) is 5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(NC1(c2ccccc2)CC1)C1Cc2cc(Cl)ccc2N1.
What is the InChIKey of 5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is HFLGBLYRUYCCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-14-6-7-15-12(10-14)11-16(20-15)17(22)21-18(8-9-18)13-4-2-1-3-5-13/h1-7,10,16,20H,8-9,11H2,(H,21,22).
What are the key properties of 5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide?
5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 118425351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).