N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide

C18H19ClFN3O — CID 4095944

IUPACN-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H19ClFN3O/c19-15-6-8-16(9-7-15)21-18(24)23-11-3-10-22(13-23)12-14-4-1-2-5-17(14)20/h1-2,4-9H,3,10-13H2,(H,21,24)
InChIKeySAJVKPXYRVNAFJ-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.18
Rot. Bonds3

About N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide

N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide (PubChem CID 4095944) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide
PubChem CID4095944
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC NameN-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H19ClFN3O/c19-15-6-8-16(9-7-15)21-18(24)23-11-3-10-22(13-23)12-14-4-1-2-5-17(14)20/h1-2,4-9H,3,10-13H2,(H,21,24)
InChIKeySAJVKPXYRVNAFJ-UHFFFAOYSA-N
XLogP4.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide (CID 4095944) is N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide?
The InChIKey is SAJVKPXYRVNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c19-15-6-8-16(9-7-15)21-18(24)23-11-3-10-22(13-23)12-14-4-1-2-5-17(14)20/h1-2,4-9H,3,10-13H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide?
N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide has a molecular weight of 347.82 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide is sourced from PubChem (CID 4095944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).