(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one

C19H21ClN2O — CID 9356889

IUPAC(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](N[C@H](C)c1cccc(Cl)c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H21ClN2O/c1-13(16-7-5-8-17(20)12-16)21-14(2)19(23)22-11-10-15-6-3-4-9-18(15)22/h3-9,12-14,21H,10-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyDZVCMKBSJDSLJJ-KGLIPLIRSA-N
MW328.84 g/mol
LogP3.97
Rot. Bonds4

About (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one

(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 9356889) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID9356889
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](N[C@H](C)c1cccc(Cl)c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H21ClN2O/c1-13(16-7-5-8-17(20)12-16)21-14(2)19(23)22-11-10-15-6-3-4-9-18(15)22/h3-9,12-14,21H,10-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyDZVCMKBSJDSLJJ-KGLIPLIRSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzamide
CID 112759055
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881472
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 133285141
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881462
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8599251
1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 75357606
2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide
CID 110348128
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2,5-dichlorobenzoate
CID 2661564
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 9356889) is (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one is C[C@H](N[C@H](C)c1cccc(Cl)c1)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is DZVCMKBSJDSLJJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13(16-7-5-8-17(20)12-16)21-14(2)19(23)22-11-10-15-6-3-4-9-18(15)22/h3-9,12-14,21H,10-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 328.84 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 9356889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).