1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea

C21H23FN2O2 — CID 95972952

IUPAC1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea
SMILESC[C@H](c1ccccc1F)N(C(=O)NC[C@H]1Cc2ccccc2O1)C1CC1
InChIInChI=1S/C21H23FN2O2/c1-14(18-7-3-4-8-19(18)22)24(16-10-11-16)21(25)23-13-17-12-15-6-2-5-9-20(15)26-17/h2-9,14,16-17H,10-13H2,1H3,(H,23,25)/t14-,17-/m1/s1
InChIKeyGWLKWGUCHCQWBE-RHSMWYFYSA-N
MW354.43 g/mol
LogP4.06
Rot. Bonds5

About 1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea

1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea (PubChem CID 95972952) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea
PubChem CID95972952
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea
SMILESC[C@H](c1ccccc1F)N(C(=O)NC[C@H]1Cc2ccccc2O1)C1CC1
InChIInChI=1S/C21H23FN2O2/c1-14(18-7-3-4-8-19(18)22)24(16-10-11-16)21(25)23-13-17-12-15-6-2-5-9-20(15)26-17/h2-9,14,16-17H,10-13H2,1H3,(H,23,25)/t14-,17-/m1/s1
InChIKeyGWLKWGUCHCQWBE-RHSMWYFYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea with MolForge

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Related Compounds

3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 52580861
2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
CID 115678361
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
CID 79012981
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 124868267
(2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95132254
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 53497871

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea (CID 95972952) is 1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea is C[C@H](c1ccccc1F)N(C(=O)NC[C@H]1Cc2ccccc2O1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea?
The InChIKey is GWLKWGUCHCQWBE-RHSMWYFYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-14(18-7-3-4-8-19(18)22)24(16-10-11-16)21(25)23-13-17-12-15-6-2-5-9-20(15)26-17/h2-9,14,16-17H,10-13H2,1H3,(H,23,25)/t14-,17-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea?
1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea has a molecular weight of 354.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(1R)-1-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 95972952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).