1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea

C19H25FN2O3 — CID 111505700

IUPAC1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1c(C(C)NC(=O)NCC2CCCC(O)C2)oc2ccc(F)cc12
InChIInChI=1S/C19H25FN2O3/c1-11-16-9-14(20)6-7-17(16)25-18(11)12(2)22-19(24)21-10-13-4-3-5-15(23)8-13/h6-7,9,12-13,15,23H,3-5,8,10H2,1-2H3,(H2,21,22,24)
InChIKeyKLFHLKNYUZVOLR-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.79
Rot. Bonds4

About 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea

1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111505700) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111505700
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1c(C(C)NC(=O)NCC2CCCC(O)C2)oc2ccc(F)cc12
InChIInChI=1S/C19H25FN2O3/c1-11-16-9-14(20)6-7-17(16)25-18(11)12(2)22-19(24)21-10-13-4-3-5-15(23)8-13/h6-7,9,12-13,15,23H,3-5,8,10H2,1-2H3,(H2,21,22,24)
InChIKeyKLFHLKNYUZVOLR-UHFFFAOYSA-N
XLogP3.79
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111503713
3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide
CID 95325813
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 86880113
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505263
N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide
CID 95333207
1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472992
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 86900679
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 105151601
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166531837
1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506164
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460381
[(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313472

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111505700) is 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea is Cc1c(C(C)NC(=O)NCC2CCCC(O)C2)oc2ccc(F)cc12.
What is the InChIKey of 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is KLFHLKNYUZVOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-11-16-9-14(20)6-7-17(16)25-18(11)12(2)22-19(24)21-10-13-4-3-5-15(23)8-13/h6-7,9,12-13,15,23H,3-5,8,10H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 348.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111505700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).