1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea

C21H27FN2O2 — CID 60544210

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H27FN2O2/c1-15(2)26-20-12-8-17(9-13-20)5-4-16(3)24-21(25)23-14-18-6-10-19(22)11-7-18/h6-13,15-16H,4-5,14H2,1-3H3,(H2,23,24,25)
InChIKeyALFMQMOIPDMKEJ-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.43
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea

1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea (PubChem CID 60544210) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
PubChem CID60544210
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H27FN2O2/c1-15(2)26-20-12-8-17(9-13-20)5-4-16(3)24-21(25)23-14-18-6-10-19(22)11-7-18/h6-13,15-16H,4-5,14H2,1-3H3,(H2,23,24,25)
InChIKeyALFMQMOIPDMKEJ-UHFFFAOYSA-N
XLogP4.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60543893
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 33158981
1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 60554656
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978
1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47024767
1-(2-cyano-4-fluorophenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 78894585
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea (CID 60544210) is 1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea is CC(CCc1ccc(OC(C)C)cc1)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea?
The InChIKey is ALFMQMOIPDMKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-15(2)26-20-12-8-17(9-13-20)5-4-16(3)24-21(25)23-14-18-6-10-19(22)11-7-18/h6-13,15-16H,4-5,14H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea?
1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea has a molecular weight of 358.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 60544210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).