1-amino-3-(2,3-difluorophenyl)urea

C7H7F2N3O — CID 61075420

IUPAC1-amino-3-(2,3-difluorophenyl)urea
SMILESNNC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C7H7F2N3O/c8-4-2-1-3-5(6(4)9)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKeyWMBOSDCMIJZTRF-UHFFFAOYSA-N
MW187.15 g/mol
LogP0.96
Rot. Bonds1

About 1-amino-3-(2,3-difluorophenyl)urea

1-amino-3-(2,3-difluorophenyl)urea (PubChem CID 61075420) has the molecular formula C7H7F2N3O and a molecular weight of 187.15 g/mol. Its IUPAC name is 1-amino-3-(2,3-difluorophenyl)urea.

Molecular Properties

Compound Name1-amino-3-(2,3-difluorophenyl)urea
PubChem CID61075420
Molecular FormulaC7H7F2N3O
Molecular Weight187.15 g/mol
Exact Mass187.06
IUPAC Name1-amino-3-(2,3-difluorophenyl)urea
SMILESNNC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C7H7F2N3O/c8-4-2-1-3-5(6(4)9)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKeyWMBOSDCMIJZTRF-UHFFFAOYSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride
CID 119280847
2-amino-N-(2,3-difluorophenyl)-2-phenylacetamide
CID 61077017
N-(2,3-difluorophenyl)benzamide
CID 139202270
2-[(2,3-difluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61207863
2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide
CID 86856275
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167999
3-amino-N-(2,3-difluorophenyl)-3-methylbutanamide
CID 64678372
2-[(2,3-difluorophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804061
1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61208643
1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine
CID 116513741
(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide
CID 87601247

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,3-difluorophenyl)urea?
The IUPAC name of 1-amino-3-(2,3-difluorophenyl)urea (CID 61075420) is 1-amino-3-(2,3-difluorophenyl)urea.
What is the SMILES notation for 1-amino-3-(2,3-difluorophenyl)urea?
The canonical SMILES for 1-amino-3-(2,3-difluorophenyl)urea is NNC(=O)Nc1cccc(F)c1F.
What is the InChIKey of 1-amino-3-(2,3-difluorophenyl)urea?
The InChIKey is WMBOSDCMIJZTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O/c8-4-2-1-3-5(6(4)9)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13).
What are the key properties of 1-amino-3-(2,3-difluorophenyl)urea?
1-amino-3-(2,3-difluorophenyl)urea has a molecular weight of 187.15 g/mol, XLogP of 0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,3-difluorophenyl)urea is sourced from PubChem (CID 61075420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).