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

C17H17F2N3O3 — CID 17265711

IUPAC1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea
SMILESCC(C)Oc1cccc(C(=O)NNC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2N3O3/c1-10(2)25-13-5-3-4-11(8-13)16(23)21-22-17(24)20-15-7-6-12(18)9-14(15)19/h3-10H,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyVYJKEWHXYINXRQ-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.22
Rot. Bonds4

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

1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea (PubChem CID 17265711) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea
PubChem CID17265711
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea
SMILESCC(C)Oc1cccc(C(=O)NNC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2N3O3/c1-10(2)25-13-5-3-4-11(8-13)16(23)21-22-17(24)20-15-7-6-12(18)9-14(15)19/h3-10H,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyVYJKEWHXYINXRQ-UHFFFAOYSA-N
XLogP3.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.22
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

N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide
CID 62919110
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea
CID 51062877
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
1-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-3-(2,4-difluorophenyl)urea
CID 2954215
2-methyl-N'-(3-propan-2-yloxybenzoyl)benzohydrazide
CID 17142532
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 41291578
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea (CID 17265711) is 1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea is CC(C)Oc1cccc(C(=O)NNC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea?
The InChIKey is VYJKEWHXYINXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-10(2)25-13-5-3-4-11(8-13)16(23)21-22-17(24)20-15-7-6-12(18)9-14(15)19/h3-10H,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea?
1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea has a molecular weight of 349.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea is sourced from PubChem (CID 17265711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).