2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide

C21H26FN3O3 — CID 33158981

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(CCNC(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O3/c1-15(2)28-19-9-5-16(6-10-19)11-12-23-20(26)14-25-21(27)24-13-17-3-7-18(22)8-4-17/h3-10,15H,11-14H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyBZQYPGSUHSWQAG-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.77
Rot. Bonds9

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 33158981) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID33158981
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(CCNC(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H26FN3O3/c1-15(2)28-19-9-5-16(6-10-19)11-12-23-20(26)14-25-21(27)24-13-17-3-7-18(22)8-4-17/h3-10,15H,11-14H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyBZQYPGSUHSWQAG-UHFFFAOYSA-N
XLogP2.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211
1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60544210
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18164688
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923
1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47024767
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide
CID 51530628
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8914898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide (CID 33158981) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide is CC(C)Oc1ccc(CCNC(=O)CNC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is BZQYPGSUHSWQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-15(2)28-19-9-5-16(6-10-19)11-12-23-20(26)14-25-21(27)24-13-17-3-7-18(22)8-4-17/h3-10,15H,11-14H2,1-2H3,(H,23,26)(H2,24,25,27).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.77, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 33158981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).