(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate

C18H18FNO3 — CID 171378487

IUPAC(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate
SMILESCC1(C)Cc2cccc(OC(=O)NCc3ccc(F)cc3)c2O1
InChIInChI=1S/C18H18FNO3/c1-18(2)10-13-4-3-5-15(16(13)23-18)22-17(21)20-11-12-6-8-14(19)9-7-12/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyOSLPNVVAUGNESE-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.83
Rot. Bonds3

About (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate (PubChem CID 171378487) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate
PubChem CID171378487
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate
SMILESCC1(C)Cc2cccc(OC(=O)NCc3ccc(F)cc3)c2O1
InChIInChI=1S/C18H18FNO3/c1-18(2)10-13-4-3-5-15(16(13)23-18)22-17(21)20-11-12-6-8-14(19)9-7-12/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyOSLPNVVAUGNESE-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzoic acid
CID 45423782
(2,2-dimethyl-3H-1-benzofuran-7-yl) 4-bromobenzoate
CID 2402597
cyclohexanol;(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
CID 174624397
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 34161635
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-carbonochloridoyl-N-methylcarbamate
CID 13037458
methyl 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoate
CID 24818301
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5217542
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 30822680
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 69297087
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 55638698
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamate
CID 13160072
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 56765570

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate (CID 171378487) is (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate is CC1(C)Cc2cccc(OC(=O)NCc3ccc(F)cc3)c2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate?
The InChIKey is OSLPNVVAUGNESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-18(2)10-13-4-3-5-15(16(13)23-18)22-17(21)20-11-12-6-8-14(19)9-7-12/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate?
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate has a molecular weight of 315.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 171378487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).