N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide

C19H21FN2O — CID 18607993

IUPACN-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide
SMILESC/C(=N\C(C)C)C(NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O/c1-13(2)21-14(3)18(15-9-11-17(20)12-10-15)22-19(23)16-7-5-4-6-8-16/h4-13,18H,1-3H3,(H,22,23)/b21-14+
InChIKeyANLOGBZWLVUMHP-KGENOOAVSA-N
MW312.39 g/mol
LogP4.17
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide

N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide (PubChem CID 18607993) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide
PubChem CID18607993
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide
SMILESC/C(=N\C(C)C)C(NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O/c1-13(2)21-14(3)18(15-9-11-17(20)12-10-15)22-19(23)16-7-5-4-6-8-16/h4-13,18H,1-3H3,(H,22,23)/b21-14+
InChIKeyANLOGBZWLVUMHP-KGENOOAVSA-N
XLogP4.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide (CID 18607993) is N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide is C/C(=N\C(C)C)C(NC(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide?
The InChIKey is ANLOGBZWLVUMHP-KGENOOAVSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-13(2)21-14(3)18(15-9-11-17(20)12-10-15)22-19(23)16-7-5-4-6-8-16/h4-13,18H,1-3H3,(H,22,23)/b21-14+.
What are the key properties of N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide?
N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide has a molecular weight of 312.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide is sourced from PubChem (CID 18607993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).