1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea

C19H23FN2O2 — CID 86927577

IUPAC1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea
SMILESCC(CCc1ccc(O)cc1)NC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H23FN2O2/c1-14(6-7-15-8-10-18(23)11-9-15)21-19(24)22(2)13-16-4-3-5-17(20)12-16/h3-5,8-12,14,23H,6-7,13H2,1-2H3,(H,21,24)
InChIKeySJTMRMDDMDNEFA-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.69
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea

1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea (PubChem CID 86927577) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea
PubChem CID86927577
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea
SMILESCC(CCc1ccc(O)cc1)NC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H23FN2O2/c1-14(6-7-15-8-10-18(23)11-9-15)21-19(24)22(2)13-16-4-3-5-17(20)12-16/h3-5,8-12,14,23H,6-7,13H2,1-2H3,(H,21,24)
InChIKeySJTMRMDDMDNEFA-UHFFFAOYSA-N
XLogP3.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea (CID 86927577) is 1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea is CC(CCc1ccc(O)cc1)NC(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea?
The InChIKey is SJTMRMDDMDNEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14(6-7-15-8-10-18(23)11-9-15)21-19(24)22(2)13-16-4-3-5-17(20)12-16/h3-5,8-12,14,23H,6-7,13H2,1-2H3,(H,21,24).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea?
1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea has a molecular weight of 330.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea is sourced from PubChem (CID 86927577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).