1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea

C22H20FN3O3 — CID 60600547

IUPAC1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H20FN3O3/c23-18-12-10-16(11-13-18)14-21(27)25-26-22(28)24-15-17-6-4-5-9-20(17)29-19-7-2-1-3-8-19/h1-13H,14-15H2,(H,25,27)(H2,24,26,28)
InChIKeyDHABDEZKTYPLOE-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.69
Rot. Bonds6

About 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea

1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea (PubChem CID 60600547) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea
PubChem CID60600547
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H20FN3O3/c23-18-12-10-16(11-13-18)14-21(27)25-26-22(28)24-15-17-6-4-5-9-20(17)29-19-7-2-1-3-8-19/h1-13H,14-15H2,(H,25,27)(H2,24,26,28)
InChIKeyDHABDEZKTYPLOE-UHFFFAOYSA-N
XLogP3.69
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
CID 41182201
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 108988918
1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea
CID 47186663
1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 60544437
2-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065353
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
CID 154880106
2-(cyclopropylmethylamino)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 119756337
N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 40730249
2-(4-fluorophenyl)-N'-phenylacetohydrazide
CID 78774551

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea?
The IUPAC name of 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea (CID 60600547) is 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea?
The canonical SMILES for 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea is O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea?
The InChIKey is DHABDEZKTYPLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-18-12-10-16(11-13-18)14-21(27)25-26-22(28)24-15-17-6-4-5-9-20(17)29-19-7-2-1-3-8-19/h1-13H,14-15H2,(H,25,27)(H2,24,26,28).
What are the key properties of 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea?
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea has a molecular weight of 393.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea is sourced from PubChem (CID 60600547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).