1-butyl-3-(4-fluorophenyl)iminourea

C11H14FN3O — CID 57337533

IUPAC1-butyl-3-(4-fluorophenyl)iminourea
SMILESCCCCNC(=O)/N=N/c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O/c1-2-3-8-13-11(16)15-14-10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,13,16)/b15-14+
InChIKeySCKARBLRFQRKPG-CCEZHUSRSA-N
MW223.25 g/mol
LogP3.42
Rot. Bonds4

About 1-butyl-3-(4-fluorophenyl)iminourea

1-butyl-3-(4-fluorophenyl)iminourea (PubChem CID 57337533) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-butyl-3-(4-fluorophenyl)iminourea.

Molecular Properties

Compound Name1-butyl-3-(4-fluorophenyl)iminourea
PubChem CID57337533
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-butyl-3-(4-fluorophenyl)iminourea
SMILESCCCCNC(=O)/N=N/c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O/c1-2-3-8-13-11(16)15-14-10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,13,16)/b15-14+
InChIKeySCKARBLRFQRKPG-CCEZHUSRSA-N
XLogP3.42
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131322
1-pentyl-3-(pentylcarbamoylimino)urea
CID 175865906
3-butyl-1-(4-fluorophenyl)-1-methylurea
CID 115588404
N-butyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316809
N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112990632
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712
N-butyl-4-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111232783
1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
(4-fluorophenyl)-(4-octylphenyl)diazene
CID 172555601
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-fluorophenyl)iminourea?
The IUPAC name of 1-butyl-3-(4-fluorophenyl)iminourea (CID 57337533) is 1-butyl-3-(4-fluorophenyl)iminourea.
What is the SMILES notation for 1-butyl-3-(4-fluorophenyl)iminourea?
The canonical SMILES for 1-butyl-3-(4-fluorophenyl)iminourea is CCCCNC(=O)/N=N/c1ccc(F)cc1.
What is the InChIKey of 1-butyl-3-(4-fluorophenyl)iminourea?
The InChIKey is SCKARBLRFQRKPG-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-2-3-8-13-11(16)15-14-10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,13,16)/b15-14+.
What are the key properties of 1-butyl-3-(4-fluorophenyl)iminourea?
1-butyl-3-(4-fluorophenyl)iminourea has a molecular weight of 223.25 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-fluorophenyl)iminourea is sourced from PubChem (CID 57337533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).