1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea

C19H23FN2O3 — CID 111453032

IUPAC1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C19H23FN2O3/c1-13(11-23)14(2)21-19(24)22-17-7-3-5-15(9-17)12-25-18-8-4-6-16(20)10-18/h3-10,13-14,23H,11-12H2,1-2H3,(H2,21,22,24)
InChIKeyVTTHEJWJPREHQC-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.54
Rot. Bonds7

About 1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea

1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea (PubChem CID 111453032) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
PubChem CID111453032
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C19H23FN2O3/c1-13(11-23)14(2)21-19(24)22-17-7-3-5-15(9-17)12-25-18-8-4-6-16(20)10-18/h3-10,13-14,23H,11-12H2,1-2H3,(H2,21,22,24)
InChIKeyVTTHEJWJPREHQC-UHFFFAOYSA-N
XLogP3.54
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473952
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
CID 38613495
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359
1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455422
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[3-[(4-fluorophenyl)methoxy]phenyl]urea
CID 56520326
2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide
CID 112821396
ethyl (2S,3S)-3-[(3-fluorophenyl)carbamoylamino]-2-methylbutanoate
CID 99783914
1-(4-hydroxy-3-methylbutan-2-yl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111454340
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea
CID 111113064

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The IUPAC name of 1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea (CID 111453032) is 1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The canonical SMILES for 1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea is CC(CO)C(C)NC(=O)Nc1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of 1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The InChIKey is VTTHEJWJPREHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-13(11-23)14(2)21-19(24)22-17-7-3-5-15(9-17)12-25-18-8-4-6-16(20)10-18/h3-10,13-14,23H,11-12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea has a molecular weight of 346.40 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea is sourced from PubChem (CID 111453032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).