ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

C20H20ClN3O3 — CID 46499919

IUPACethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O3/c1-2-27-20(26)24-18(19(25)23-17-10-6-4-8-15(17)21)11-13-12-22-16-9-5-3-7-14(13)16/h3-10,12,18,22H,2,11H2,1H3,(H,23,25)(H,24,26)/t18-/m1/s1
InChIKeyNLNVHTMGAMWTMR-GOSISDBHSA-N
MW385.85 g/mol
LogP4.12
Rot. Bonds6

About ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 46499919) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
PubChem CID46499919
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Nameethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O3/c1-2-27-20(26)24-18(19(25)23-17-10-6-4-8-15(17)21)11-13-12-22-16-9-5-3-7-14(13)16/h3-10,12,18,22H,2,11H2,1H3,(H,23,25)(H,24,26)/t18-/m1/s1
InChIKeyNLNVHTMGAMWTMR-GOSISDBHSA-N
XLogP4.12
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40830371
ethyl N-[(2R)-1-(5-chloro-2-methoxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 126011247
ethyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 2008799
phenyl N-[(2S)-1-(5-chloro-2-methylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 126005197
phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 2876163
2,4,4-trimethylpentan-2-yl 2-(ethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
CID 129191810
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylanilino)-1-oxopropan-2-yl]carbamate
CID 2213502
benzyl N-[(2S)-1-[(2-chlorophenyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 24537097
N-[1-(4-acetamido-2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 86945334
ethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
CID 10622194
2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide
CID 3110636
2-methylpropyl N-[(2S)-1-[[(2R)-butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40575884

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (CID 46499919) is ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Cl.
What is the InChIKey of ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is NLNVHTMGAMWTMR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-2-27-20(26)24-18(19(25)23-17-10-6-4-8-15(17)21)11-13-12-22-16-9-5-3-7-14(13)16/h3-10,12,18,22H,2,11H2,1H3,(H,23,25)(H,24,26)/t18-/m1/s1.
What are the key properties of ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 385.85 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 46499919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).