(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide

C19H20ClN3O — CID 8645148

IUPAC(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
SMILESC[C@H](NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C19H20ClN3O/c1-12(19(21)24)22-10-15(13-6-2-4-8-17(13)20)16-11-23-18-9-5-3-7-14(16)18/h2-9,11-12,15,22-23H,10H2,1H3,(H2,21,24)/t12-,15-/m0/s1
InChIKeyKAQIWLRYAWNWBK-WFASDCNBSA-N
MW341.84 g/mol
LogP3.42
Rot. Bonds6

About (2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide

(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide (PubChem CID 8645148) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
PubChem CID8645148
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
SMILESC[C@H](NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C19H20ClN3O/c1-12(19(21)24)22-10-15(13-6-2-4-8-17(13)20)16-11-23-18-9-5-3-7-14(16)18/h2-9,11-12,15,22-23H,10H2,1H3,(H2,21,24)/t12-,15-/m0/s1
InChIKeyKAQIWLRYAWNWBK-WFASDCNBSA-N
XLogP3.42
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645145
(2S)-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-N-propan-2-ylpropanamide
CID 8645196
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 18158757
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
methyl (2S)-2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]propanoate
CID 8645460
(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide
CID 8645365
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-hydroxybutanamide
CID 166324533
(2S)-2-acetamido-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 7910791
2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 120984721
ethyl 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 42911057
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 99813124

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide?
The IUPAC name of (2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide (CID 8645148) is (2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide?
The canonical SMILES for (2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide is C[C@H](NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C(N)=O.
What is the InChIKey of (2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide?
The InChIKey is KAQIWLRYAWNWBK-WFASDCNBSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-12(19(21)24)22-10-15(13-6-2-4-8-17(13)20)16-11-23-18-9-5-3-7-14(16)18/h2-9,11-12,15,22-23H,10H2,1H3,(H2,21,24)/t12-,15-/m0/s1.
What are the key properties of (2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide?
(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide has a molecular weight of 341.84 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide is sourced from PubChem (CID 8645148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).