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

C19H18ClN3O2 — CID 10641957

IUPAC5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18ClN3O2/c1-21-18(24)16(9-12-5-3-2-4-6-12)23-19(25)17-11-13-10-14(20)7-8-15(13)22-17/h2-8,10-11,16,22H,9H2,1H3,(H,21,24)(H,23,25)/t16-/m0/s1
InChIKeyCANNRPPLWMPZEB-INIZCTEOSA-N
MW355.83 g/mol
LogP2.91
Rot. Bonds5

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

5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 10641957) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
PubChem CID10641957
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18ClN3O2/c1-21-18(24)16(9-12-5-3-2-4-6-12)23-19(25)17-11-13-10-14(20)7-8-15(13)22-17/h2-8,10-11,16,22H,9H2,1H3,(H,21,24)(H,23,25)/t16-/m0/s1
InChIKeyCANNRPPLWMPZEB-INIZCTEOSA-N
XLogP2.91
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide (CID 10641957) is 5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is CANNRPPLWMPZEB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-21-18(24)16(9-12-5-3-2-4-6-12)23-19(25)17-11-13-10-14(20)7-8-15(13)22-17/h2-8,10-11,16,22H,9H2,1H3,(H,21,24)(H,23,25)/t16-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10641957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).