5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide

C20H20ClN3O2 — CID 10714181

IUPAC5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H20ClN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeySWJYEZLPKNELRP-GOSISDBHSA-N
MW369.85 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 10714181) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
PubChem CID10714181
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H20ClN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeySWJYEZLPKNELRP-GOSISDBHSA-N
XLogP3.25
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (CID 10714181) is 5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is SWJYEZLPKNELRP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10714181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).