(2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide

C18H25FN4O2 — CID 100727293

IUPAC(2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide
SMILESCc1ccc2c(CCNC(=O)N[C@H](C)C(=O)NCCF)cn(C)c2c1
InChIInChI=1S/C18H25FN4O2/c1-12-4-5-15-14(11-23(3)16(15)10-12)6-8-21-18(25)22-13(2)17(24)20-9-7-19/h4-5,10-11,13H,6-9H2,1-3H3,(H,20,24)(H2,21,22,25)/t13-/m1/s1
InChIKeyHBXRUGQAQPBGIL-CYBMUJFWSA-N
MW348.42 g/mol
LogP1.80
Rot. Bonds7

About (2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide

(2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide (PubChem CID 100727293) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is (2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide
PubChem CID100727293
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name(2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide
SMILESCc1ccc2c(CCNC(=O)N[C@H](C)C(=O)NCCF)cn(C)c2c1
InChIInChI=1S/C18H25FN4O2/c1-12-4-5-15-14(11-23(3)16(15)10-12)6-8-21-18(25)22-13(2)17(24)20-9-7-19/h4-5,10-11,13H,6-9H2,1-3H3,(H,20,24)(H2,21,22,25)/t13-/m1/s1
InChIKeyHBXRUGQAQPBGIL-CYBMUJFWSA-N
XLogP1.80
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide?
The IUPAC name of (2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide (CID 100727293) is (2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide is Cc1ccc2c(CCNC(=O)N[C@H](C)C(=O)NCCF)cn(C)c2c1.
What is the InChIKey of (2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide?
The InChIKey is HBXRUGQAQPBGIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-12-4-5-15-14(11-23(3)16(15)10-12)6-8-21-18(25)22-13(2)17(24)20-9-7-19/h4-5,10-11,13H,6-9H2,1-3H3,(H,20,24)(H2,21,22,25)/t13-/m1/s1.
What are the key properties of (2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide?
(2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide has a molecular weight of 348.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(1,6-dimethylindol-3-yl)ethylcarbamoylamino]-N-(2-fluoroethyl)propanamide is sourced from PubChem (CID 100727293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).