1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea

C24H24F2N4O2 — CID 143184446

IUPAC1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CCC2CC2)cc1
InChIInChI=1S/C24H24F2N4O2/c1-2-28-24(31)29-17-7-5-16(6-8-17)22-20(14-27)19-10-9-18(32-23(25)26)13-21(19)30(22)12-11-15-3-4-15/h5-10,13,15,23H,2-4,11-12H2,1H3,(H2,28,29,31)
InChIKeyXSZAJBVGBODZJO-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.72
Rot. Bonds8

About 1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea

1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea (PubChem CID 143184446) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea
PubChem CID143184446
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CCC2CC2)cc1
InChIInChI=1S/C24H24F2N4O2/c1-2-28-24(31)29-17-7-5-16(6-8-17)22-20(14-27)19-10-9-18(32-23(25)26)13-21(19)30(22)12-11-15-3-4-15/h5-10,13,15,23H,2-4,11-12H2,1H3,(H2,28,29,31)
InChIKeyXSZAJBVGBODZJO-UHFFFAOYSA-N
XLogP5.72
TPSA79.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea with MolForge

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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
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-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide
CID 58694106
N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide
CID 58694406

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea?
The IUPAC name of 1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea (CID 143184446) is 1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea.
What is the SMILES notation for 1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea?
The canonical SMILES for 1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea is CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CCC2CC2)cc1.
What is the InChIKey of 1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea?
The InChIKey is XSZAJBVGBODZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-2-28-24(31)29-17-7-5-16(6-8-17)22-20(14-27)19-10-9-18(32-23(25)26)13-21(19)30(22)12-11-15-3-4-15/h5-10,13,15,23H,2-4,11-12H2,1H3,(H2,28,29,31).
What are the key properties of 1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea?
1-[4-[3-cyano-1-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea has a molecular weight of 438.48 g/mol, XLogP of 5.72, 8 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-(2-cyclopropylethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-3-ethylurea is sourced from PubChem (CID 143184446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).