2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide

C24H19Cl2FN4O2 — CID 157373109

IUPAC2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1
InChIInChI=1S/C24H19Cl2FN4O2/c25-16-4-2-14(19(12-16)24(33)30-22-7-5-17(26)13-29-22)11-21(32)18-6-3-15(10-20(18)27)23(28)31-8-1-9-31/h2-7,10,12-13,28H,1,8-9,11H2,(H,29,30,33)/b28-23-
InChIKeyNHQWFBGAUGGGJD-NFFVHWSESA-N
MW485.35 g/mol
LogP5.24
Rot. Bonds6

About 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide

2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide (PubChem CID 157373109) has the molecular formula C24H19Cl2FN4O2 and a molecular weight of 485.35 g/mol. Its IUPAC name is 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
PubChem CID157373109
Molecular FormulaC24H19Cl2FN4O2
Molecular Weight485.35 g/mol
Exact Mass484.09
IUPAC Name2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1
InChIInChI=1S/C24H19Cl2FN4O2/c25-16-4-2-14(19(12-16)24(33)30-22-7-5-17(26)13-29-22)11-21(32)18-6-3-15(10-20(18)27)23(28)31-8-1-9-31/h2-7,10,12-13,28H,1,8-9,11H2,(H,29,30,33)/b28-23-
InChIKeyNHQWFBGAUGGGJD-NFFVHWSESA-N
XLogP5.24
TPSA86.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.35
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide?
The IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide (CID 157373109) is 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide is [H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.
What is the InChIKey of 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide?
The InChIKey is NHQWFBGAUGGGJD-NFFVHWSESA-N. The full InChI is InChI=1S/C24H19Cl2FN4O2/c25-16-4-2-14(19(12-16)24(33)30-22-7-5-17(26)13-29-22)11-21(32)18-6-3-15(10-20(18)27)23(28)31-8-1-9-31/h2-7,10,12-13,28H,1,8-9,11H2,(H,29,30,33)/b28-23-.
What are the key properties of 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide?
2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide has a molecular weight of 485.35 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 157373109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).