1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea

C21H21FN4O2 — CID 25049865

IUPAC1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F
InChIInChI=1S/C21H21FN4O2/c1-4-24-21(27)25-18-9-6-13(10-17(18)22)20-16(12-23)15-8-7-14(28-3)11-19(15)26(20)5-2/h6-11H,4-5H2,1-3H3,(H2,24,25,27)
InChIKeyNUSCMLIVMXJATK-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.49
Rot. Bonds5

About 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea

1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea (PubChem CID 25049865) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea
PubChem CID25049865
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F
InChIInChI=1S/C21H21FN4O2/c1-4-24-21(27)25-18-9-6-13(10-17(18)22)20-16(12-23)15-8-7-14(28-3)11-19(15)26(20)5-2/h6-11H,4-5H2,1-3H3,(H2,24,25,27)
InChIKeyNUSCMLIVMXJATK-UHFFFAOYSA-N
XLogP4.49
TPSA79.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-methoxy-2-phenylindol-1-yl)ethyl]propanamide
CID 10448812
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 11625428
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide
CID 11682432
2-[[6-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile
CID 16101432
N-[4-[3-cyano-6-(difluoromethoxy)-1-isopropyl-indol-2-yl]phenyl]cyclopropanesulfonamide
CID 25051493
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]propane-1-sulfonamide
CID 25051674
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]cyclopropanesulfonamide
CID 25051675
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]propane-2-sulfonamide
CID 25051838
Ethanesulfonic acid [4-(3-cyano-1-ethyl-6-trifluoromethoxyindol-2-yl)phenyl]amide
CID 46946630
N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide
CID 58693902
N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide
CID 58694104
N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide
CID 58694370

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea?
The IUPAC name of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea (CID 25049865) is 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea.
What is the SMILES notation for 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea?
The canonical SMILES for 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea is CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F.
What is the InChIKey of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea?
The InChIKey is NUSCMLIVMXJATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-4-24-21(27)25-18-9-6-13(10-17(18)22)20-16(12-23)15-8-7-14(28-3)11-19(15)26(20)5-2/h6-11H,4-5H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea?
1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea has a molecular weight of 380.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea is sourced from PubChem (CID 25049865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).