1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea

C19H19ClF2N2O2 — CID 60580757

IUPAC1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea
SMILESO=C(NCCc1ccc(OC(F)F)cc1)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C19H19ClF2N2O2/c20-14-4-7-16-13(11-14)3-8-17(16)24-19(25)23-10-9-12-1-5-15(6-2-12)26-18(21)22/h1-2,4-7,11,17-18H,3,8-10H2,(H2,23,24,25)
InChIKeySHGQLSPSCRLEAN-UHFFFAOYSA-N
MW380.82 g/mol
LogP4.47
Rot. Bonds6

About 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea

1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea (PubChem CID 60580757) has the molecular formula C19H19ClF2N2O2 and a molecular weight of 380.82 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea
PubChem CID60580757
Molecular FormulaC19H19ClF2N2O2
Molecular Weight380.82 g/mol
Exact Mass380.11
IUPAC Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea
SMILESO=C(NCCc1ccc(OC(F)F)cc1)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C19H19ClF2N2O2/c20-14-4-7-16-13(11-14)3-8-17(16)24-19(25)23-10-9-12-1-5-15(6-2-12)26-18(21)22/h1-2,4-7,11,17-18H,3,8-10H2,(H2,23,24,25)
InChIKeySHGQLSPSCRLEAN-UHFFFAOYSA-N
XLogP4.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.82
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea (CID 60580757) is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea is O=C(NCCc1ccc(OC(F)F)cc1)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea?
The InChIKey is SHGQLSPSCRLEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O2/c20-14-4-7-16-13(11-14)3-8-17(16)24-19(25)23-10-9-12-1-5-15(6-2-12)26-18(21)22/h1-2,4-7,11,17-18H,3,8-10H2,(H2,23,24,25).
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea?
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea has a molecular weight of 380.82 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea is sourced from PubChem (CID 60580757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).