N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide

C15H19FN4O2 — CID 174442707

IUPACN-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide
SMILES[H]/N=C(\CCC)c1cc(NC2CC2)c(C(=O)NNC=O)cc1F
InChIInChI=1S/C15H19FN4O2/c1-2-3-13(17)10-7-14(19-9-4-5-9)11(6-12(10)16)15(22)20-18-8-21/h6-9,17,19H,2-5H2,1H3,(H,18,21)(H,20,22)/b17-13+
InChIKeyNTPGTYYDEYHJCV-GHRIWEEISA-N
MW306.34 g/mol
LogP1.96
Rot. Bonds8

About N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide

N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide (PubChem CID 174442707) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide.

Molecular Properties

Compound NameN-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide
PubChem CID174442707
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC NameN-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide
SMILES[H]/N=C(\CCC)c1cc(NC2CC2)c(C(=O)NNC=O)cc1F
InChIInChI=1S/C15H19FN4O2/c1-2-3-13(17)10-7-14(19-9-4-5-9)11(6-12(10)16)15(22)20-18-8-21/h6-9,17,19H,2-5H2,1H3,(H,18,21)(H,20,22)/b17-13+
InChIKeyNTPGTYYDEYHJCV-GHRIWEEISA-N
XLogP1.96
TPSA94.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide?
The IUPAC name of N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide (CID 174442707) is N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide.
What is the SMILES notation for N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide?
The canonical SMILES for N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide is [H]/N=C(\CCC)c1cc(NC2CC2)c(C(=O)NNC=O)cc1F.
What is the InChIKey of N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide?
The InChIKey is NTPGTYYDEYHJCV-GHRIWEEISA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-2-3-13(17)10-7-14(19-9-4-5-9)11(6-12(10)16)15(22)20-18-8-21/h6-9,17,19H,2-5H2,1H3,(H,18,21)(H,20,22)/b17-13+.
What are the key properties of N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide?
N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide has a molecular weight of 306.34 g/mol, XLogP of 1.96, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-butanimidoyl-2-(cyclopropylamino)-5-fluorobenzoyl]amino]formamide is sourced from PubChem (CID 174442707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).