1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea

C18H21FN2O2 — CID 60554656

IUPAC1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC(C)COc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-13-3-5-15(6-4-13)11-20-18(22)21-14(2)12-23-17-9-7-16(19)8-10-17/h3-10,14H,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyNZRQFIVWZNCGGG-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.40
Rot. Bonds6

About 1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea

1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 60554656) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea
PubChem CID60554656
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC(C)COc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-13-3-5-15(6-4-13)11-20-18(22)21-14(2)12-23-17-9-7-16(19)8-10-17/h3-10,14H,11-12H2,1-2H3,(H2,20,21,22)
InChIKeyNZRQFIVWZNCGGG-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60544210
2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide
CID 86826839
3-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 61189759
1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 95192938
1-(2-tert-butylsulfanylethyl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
CID 86884516
1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
N-[1-(4-fluorophenoxy)propan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110907559
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108867649
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea (CID 60554656) is 1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NC(C)COc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is NZRQFIVWZNCGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13-3-5-15(6-4-13)11-20-18(22)21-14(2)12-23-17-9-7-16(19)8-10-17/h3-10,14H,11-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea?
1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 316.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 60554656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).