1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea

C14H11F2N3O3 — CID 51062877

IUPAC1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccccc1O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H11F2N3O3/c15-8-5-6-11(10(16)7-8)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)
InChIKeyKCZUYFSFUBPISH-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.14
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea

1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea (PubChem CID 51062877) has the molecular formula C14H11F2N3O3 and a molecular weight of 307.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea
PubChem CID51062877
Molecular FormulaC14H11F2N3O3
Molecular Weight307.26 g/mol
Exact Mass307.08
IUPAC Name1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccccc1O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H11F2N3O3/c15-8-5-6-11(10(16)7-8)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)
InChIKeyKCZUYFSFUBPISH-UHFFFAOYSA-N
XLogP2.14
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.14
H-Bond Donors ≤ 54
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-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
CID 51168686
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
5-bromo-N-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 2804653
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
N-(4-bromo-2-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298780
1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea
CID 17265711
N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
CID 103891425
1-(2-chloro-4-hydroxyphenyl)-3-(2,4-difluorophenyl)urea
CID 64789111

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea (CID 51062877) is 1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea is O=C(NNC(=O)c1ccccc1O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea?
The InChIKey is KCZUYFSFUBPISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3/c15-8-5-6-11(10(16)7-8)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea?
1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea has a molecular weight of 307.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea is sourced from PubChem (CID 51062877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).