[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea

C17H15FN4O — CID 126247362

IUPAC[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1
InChIInChI=1S/C17H15FN4O/c18-15-3-1-2-13(9-15)11-22-7-6-14-8-12(4-5-16(14)22)10-20-21-17(19)23/h1-10H,11H2,(H3,19,21,23)/b20-10+
InChIKeyRVZWDTIHFQRVQD-KEBDBYFISA-N
MW310.33 g/mol
LogP2.83
Rot. Bonds4

About [(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea

[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea (PubChem CID 126247362) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is [(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea
PubChem CID126247362
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1
InChIInChI=1S/C17H15FN4O/c18-15-3-1-2-13(9-15)11-22-7-6-14-8-12(4-5-16(14)22)10-20-21-17(19)23/h1-10H,11H2,(H3,19,21,23)/b20-10+
InChIKeyRVZWDTIHFQRVQD-KEBDBYFISA-N
XLogP2.83
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide
CID 4273821
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 126253017
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126241100
N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126251507
2-bromo-N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]benzamide
CID 126237991
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126234003
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]acetamide
CID 126239890
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126254481
N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2,4-dinitroaniline
CID 126232582
N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine
CID 126249418
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine
CID 126245022

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea?
The IUPAC name of [(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea (CID 126247362) is [(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea.
What is the SMILES notation for [(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea?
The canonical SMILES for [(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea is NC(=O)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1.
What is the InChIKey of [(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea?
The InChIKey is RVZWDTIHFQRVQD-KEBDBYFISA-N. The full InChI is InChI=1S/C17H15FN4O/c18-15-3-1-2-13(9-15)11-22-7-6-14-8-12(4-5-16(14)22)10-20-21-17(19)23/h1-10H,11H2,(H3,19,21,23)/b20-10+.
What are the key properties of [(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea?
[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea has a molecular weight of 310.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea is sourced from PubChem (CID 126247362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).