1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea

C17H18FN3O4 — CID 51980854

IUPAC1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F
InChIInChI=1S/C17H18FN3O4/c1-11(25-14-9-5-3-7-12(14)18)16(22)20-21-17(23)19-13-8-4-6-10-15(13)24-2/h3-11H,1-2H3,(H,20,22)(H2,19,21,23)/t11-/m1/s1
InChIKeyINVSEMOIEICYBO-LLVKDONJSA-N
MW347.35 g/mol
LogP2.45
Rot. Bonds5

About 1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea

1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea (PubChem CID 51980854) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea
PubChem CID51980854
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F
InChIInChI=1S/C17H18FN3O4/c1-11(25-14-9-5-3-7-12(14)18)16(22)20-21-17(23)19-13-8-4-6-10-15(13)24-2/h3-11H,1-2H3,(H,20,22)(H2,19,21,23)/t11-/m1/s1
InChIKeyINVSEMOIEICYBO-LLVKDONJSA-N
XLogP2.45
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea
CID 26871400
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
1-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]-3-methylthiourea
CID 8767721
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31966341
(2S)-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9087471
(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31901152
2,6-difluoro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55342334
(E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide
CID 55534762

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea (CID 51980854) is 1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F.
What is the InChIKey of 1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea?
The InChIKey is INVSEMOIEICYBO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-11(25-14-9-5-3-7-12(14)18)16(22)20-21-17(23)19-13-8-4-6-10-15(13)24-2/h3-11H,1-2H3,(H,20,22)(H2,19,21,23)/t11-/m1/s1.
What are the key properties of 1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea?
1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea has a molecular weight of 347.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 51980854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).