1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea

C14H21FN2O3 — CID 134161141

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea
SMILESCOCCC(C)(O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3/c1-14(19,7-8-20-2)10-17-13(18)16-9-11-3-5-12(15)6-4-11/h3-6,19H,7-10H2,1-2H3,(H2,16,17,18)
InChIKeyKCWMJTUILDWSDN-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.41
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea

1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea (PubChem CID 134161141) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea
PubChem CID134161141
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea
SMILESCOCCC(C)(O)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3/c1-14(19,7-8-20-2)10-17-13(18)16-9-11-3-5-12(15)6-4-11/h3-6,19H,7-10H2,1-2H3,(H2,16,17,18)
InChIKeyKCWMJTUILDWSDN-UHFFFAOYSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712495
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
CID 103712364
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724283
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162
1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605292
4-[[(2-hydroxy-2-methylpentyl)carbamoylamino]methyl]benzoic acid
CID 122021167
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 97428533
1-tert-butyl-3-[(4-fluorophenyl)methyl]urea
CID 59397344
1-[(4-fluorophenyl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71918772
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea (CID 134161141) is 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea is COCCC(C)(O)CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea?
The InChIKey is KCWMJTUILDWSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-14(19,7-8-20-2)10-17-13(18)16-9-11-3-5-12(15)6-4-11/h3-6,19H,7-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea?
1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea has a molecular weight of 284.33 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea is sourced from PubChem (CID 134161141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).