1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea

C14H13F3N4O3 — CID 144784203

IUPAC1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea
SMILESNNC(=O)Nc1cccc(OC(F)F)c1COc1cccc(F)n1
InChIInChI=1S/C14H13F3N4O3/c15-11-5-2-6-12(20-11)23-7-8-9(19-14(22)21-18)3-1-4-10(8)24-13(16)17/h1-6,13H,7,18H2,(H2,19,21,22)
InChIKeyXXZKWDSWNNFMTH-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.40
Rot. Bonds6

About 1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea

1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea (PubChem CID 144784203) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea.

Molecular Properties

Compound Name1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea
PubChem CID144784203
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Name1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea
SMILESNNC(=O)Nc1cccc(OC(F)F)c1COc1cccc(F)n1
InChIInChI=1S/C14H13F3N4O3/c15-11-5-2-6-12(20-11)23-7-8-9(19-14(22)21-18)3-1-4-10(8)24-13(16)17/h1-6,13H,7,18H2,(H2,19,21,22)
InChIKeyXXZKWDSWNNFMTH-UHFFFAOYSA-N
XLogP2.40
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144783811
3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline
CID 144784650
1-amino-3-[2-[(4-methylpyrimidin-5-yl)oxymethyl]-3-(trifluoromethoxy)phenyl]urea
CID 144784267
1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144784562
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144784654
1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea
CID 144784541
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
1-amino-3-(2,3-difluorophenyl)urea
CID 61075420
3-(difluoromethoxy)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl chloride
CID 126579877

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea?
The IUPAC name of 1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea (CID 144784203) is 1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea.
What is the SMILES notation for 1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea?
The canonical SMILES for 1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea is NNC(=O)Nc1cccc(OC(F)F)c1COc1cccc(F)n1.
What is the InChIKey of 1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea?
The InChIKey is XXZKWDSWNNFMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c15-11-5-2-6-12(20-11)23-7-8-9(19-14(22)21-18)3-1-4-10(8)24-13(16)17/h1-6,13H,7,18H2,(H2,19,21,22).
What are the key properties of 1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea?
1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea has a molecular weight of 342.28 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea is sourced from PubChem (CID 144784203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).