N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide

C19H18ClN3O3 — CID 10571291

IUPACN-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide
SMILESNC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18ClN3O3/c20-13-6-7-14-12(9-13)10-16(22-14)19(26)23-15(17(24)18(21)25)8-11-4-2-1-3-5-11/h1-7,9-10,15,17,22,24H,8H2,(H2,21,25)(H,23,26)/t15-,17+/m0/s1
InChIKeyQTKYWBKNNDLOSO-DOTOQJQBSA-N
MW371.82 g/mol
LogP2.01
Rot. Bonds6

About N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide

N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide (PubChem CID 10571291) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide
PubChem CID10571291
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide
SMILESNC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18ClN3O3/c20-13-6-7-14-12(9-13)10-16(22-14)19(26)23-15(17(24)18(21)25)8-11-4-2-1-3-5-11/h1-7,9-10,15,17,22,24H,8H2,(H2,21,25)(H,23,26)/t15-,17+/m0/s1
InChIKeyQTKYWBKNNDLOSO-DOTOQJQBSA-N
XLogP2.01
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide (CID 10571291) is N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide is NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide?
The InChIKey is QTKYWBKNNDLOSO-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-13-6-7-14-12(9-13)10-16(22-14)19(26)23-15(17(24)18(21)25)8-11-4-2-1-3-5-11/h1-7,9-10,15,17,22,24H,8H2,(H2,21,25)(H,23,26)/t15-,17+/m0/s1.
What are the key properties of N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide?
N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 2.01, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 10571291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).