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

C20H20ClN3O3 — CID 15991280

IUPACethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H20ClN3O3/c1-2-27-20(26)24-18(19(25)23-15-7-5-6-14(21)11-15)10-13-12-22-17-9-4-3-8-16(13)17/h3-9,11-12,18,22H,2,10H2,1H3,(H,23,25)(H,24,26)/t18-/m1/s1
InChIKeyCWOOEMGRQIWDNT-GOSISDBHSA-N
MW385.85 g/mol
LogP4.12
Rot. Bonds6

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

ethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 15991280) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is ethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
PubChem CID15991280
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Nameethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H20ClN3O3/c1-2-27-20(26)24-18(19(25)23-15-7-5-6-14(21)11-15)10-13-12-22-17-9-4-3-8-16(13)17/h3-9,11-12,18,22H,2,10H2,1H3,(H,23,25)(H,24,26)/t18-/m1/s1
InChIKeyCWOOEMGRQIWDNT-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

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

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Related Compounds

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(2S,5S,8R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
CID 9829402
Ac-Nle-Gly-Lys-D-Phe-Arg-Trp-Gly-NH(2)
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate (CID 15991280) is ethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of ethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is CWOOEMGRQIWDNT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-2-27-20(26)24-18(19(25)23-15-7-5-6-14(21)11-15)10-13-12-22-17-9-4-3-8-16(13)17/h3-9,11-12,18,22H,2,10H2,1H3,(H,23,25)(H,24,26)/t18-/m1/s1.
What are the key properties of ethyl N-[(2R)-1-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate?
ethyl N-[(2R)-1-(3-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-(3-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 15991280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).