1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea

C18H18F2N2O2 — CID 91813585

IUPAC1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
SMILESCC(Cc1ccc2c(c1)CCO2)NC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O2/c1-11(9-12-5-6-16-13(10-12)7-8-24-16)21-18(23)22-17-14(19)3-2-4-15(17)20/h2-6,10-11H,7-9H2,1H3,(H2,21,22,23)
InChIKeyMNRFNCYYUNSVSN-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.65
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea

1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea (PubChem CID 91813585) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
PubChem CID91813585
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
SMILESCC(Cc1ccc2c(c1)CCO2)NC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O2/c1-11(9-12-5-6-16-13(10-12)7-8-24-16)21-18(23)22-17-14(19)3-2-4-15(17)20/h2-6,10-11H,7-9H2,1H3,(H2,21,22,23)
InChIKeyMNRFNCYYUNSVSN-UHFFFAOYSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813586
1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea
CID 100694552
1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea
CID 100694624
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
2-chloro-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]benzamide
CID 100691959
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 91813491
2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 100692416
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide
CID 100692443
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 91813507
3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide
CID 100692740
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,6-difluoroaniline
CID 65429911
(1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide
CID 100692970

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea (CID 91813585) is 1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea is CC(Cc1ccc2c(c1)CCO2)NC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea?
The InChIKey is MNRFNCYYUNSVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-11(9-12-5-6-16-13(10-12)7-8-24-16)21-18(23)22-17-14(19)3-2-4-15(17)20/h2-6,10-11H,7-9H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea?
1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea has a molecular weight of 332.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea is sourced from PubChem (CID 91813585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).